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Showing metabocard for Phenylalanine (HMDB0000159)

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enzymes (17)transporters (2) Show 19 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2024-05-19 04:28:27 UTC
HMDB IDHMDB0000159
Secondary Accession Numbers
  • HMDB0000612
  • HMDB00159
  • HMDB00612
Metabolite Identification
Common NamePhenylalanine
DescriptionPhenylalanine (Phe), also known as L-phenylalanine is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (-NH2) and carboxyl (-COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-phenylalanine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Phenylalanine is found in all organisms ranging from bacteria to plants to animals. It is classified as an aromatic, non-polar amino acid. In humans, phenylalanine is an essential amino acid and the precursor of the amino acid tyrosine. Like tyrosine, phenylalanine is also a precursor for catecholamines including tyramine, dopamine, epinephrine, and norepinephrine. Catecholamines are neurotransmitters that act as adrenalin-like substances. Interestingly, several psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is highly concentrated in the human brain and plasma. Normal metabolism of phenylalanine requires biopterin, iron, niacin, vitamin B6, copper, and vitamin C. An average adult ingests 5 g of phenylalanine per day and may optimally need up to 8 g daily. Phenylalanine is highly concentrated in a number of high protein foods, such as meat, cottage cheese, and wheat germ. An additional dietary source of phenylalanine is artificial sweeteners containing aspartame (a methyl ester of the aspartic acid/phenylalanine dipeptide). As a general rule, aspartame should be avoided by phenylketonurics and pregnant women. When present in sufficiently high levels (>500 uM), phenylalanine can act as a neurotoxin and a metabotoxin. A neurotoxin is a compound that disrupts or attacks neural cells and neural tissue. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of phenylalanine are associated with at least five inborn errors of metabolism, including Hartnup disorder, hyperphenylalaninemia due to guanosine triphosphate cyclohydrolase deficiency, phenylketonuria (PKU), tyrosinemia type 2 (or Richner-Hanhart syndrome), and tyrosinemia type III (TYRO3). Phenylketonurics have elevated serum plasma levels of phenylalanine up to 400 times normal. High plasma concentrations of phenylalanine influence the blood-brain barrier transport of large neutral amino acids. The high plasma phenylalanine concentrations increase phenylalanine entry into the brain and restrict the entry of other large neutral amino acids (PMID: 19191004 ). Phenylalanine has been found to interfere with different cerebral enzyme systems. Untreated phenylketonuria (PKU) can lead to intellectual disability, seizures, behavioural problems, and mental disorders. It may also result in a musty smell and lighter skin. Classic PKU dramatically affects myelination and white matter tracts in untreated infants; this may be one major cause of neurological disorders associated with phenylketonuria. Mild phenylketonuria can act as an unsuspected cause of hyperactivity, learning problems, and other developmental problems in children. It has been recently suggested that PKU may resemble amyloid diseases, such as Alzheimer's disease and Parkinson's disease, due to the formation of toxic amyloid-like assemblies of phenylalanine (PMID: 22706200 ). Higher serum/plasma levels (>75 µmol/L) of phenylalanine are commonly seen in people suffering from heart failure, chronic inflammation or infections, as well those suffering from sepsis or septic shock (PMID: 31170548 ; PMID: 32618142 ).  Normally most amino acid levels drop during inflammation or infection, so a rise in phenylalanine levels is considered unusual. While normal levels of phenylalanine are between 40-75 µmol/L, those in intensive care units with phenylalanine levels >110 µmol/L are at much greater risk of dying (PMID: 32618142 ).  These moderately high levels of phenylalanine are not necessarily toxic, they are simply secondary indicators of something else that is seriously wrong. The metabolism of phenylalanine and its level in blood directly relates to the activity of the enzyme phenylalanine hydroxylase, which is functionally attenuated by high levels of inflammation. The attenuation of phenylalanine hydroxylase appears to be associated with insufficient tetrahydrobiopterin (BH4), the co‐factor for phenylalanine hydroxylase. In particular, inflammation‐induced production of reactive oxygen species (ROS) may consume a significant portion of BH4, thereby leaving phenylalanine unmetabolized. Pro‐inflammatory cytokine‐mediated inflammation also increases the production of neopterin at the expense of the production of BH4. Insufficient bioavailability of BH4 also leads to dysfunction in multiple systems, including nitric oxide synthase, tryptophan/kynurenine metabolism, the catecholamine pathway, the neural system, and thyroid hormone production (PMID: 32618142 ). High phenylalanine concentrations in septic patients may also reflect the breakdown of muscle tissues (leading to amino acid release) and the body’s differential metabolic capacity for different amino acids. Muscle tissue is easily able to oxidize branched chain amino acids to support its own energy requirements. Muscle tissue is also able to metabolize alanine, glycine, proline, aspartate, glutamate, histidine, glutamine and serine for gluconeogenesis, but aromatic amino acids such as phenylalanine and tyrosine as well as many cysteine-containing amino acids are not as easily metabolized. This may also account for the increase in the levels of phenylalanine and tyrosine seen during sepsis (PMID: 99098 ). Phenylalanine also has some potential benefits. Phenylalanine can act as an effective pain reliever. Its use in premenstrual syndrome and Parkinson's may enhance the effects of acupuncture and electric transcutaneous nerve stimulation (TENS). Phenylalanine and tyrosine, like L-DOPA, produce a catecholamine-like effect. Phenylalanine is better absorbed than tyrosine and may cause fewer headaches. Low phenylalanine diets have been prescribed for certain cancers with mixed results. For instance, some tumours use more phenylalanine than others (particularly melatonin-producing tumours called melanomas).Phenylalanine is elevated by a factor of two or more in the urine of patients with diet-controlled PKU or phenylketonuria (PMID: 37446577 ).
Structure
Data?1676999674
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000159 (Phenylalanine)


  Mrv1652309272007422D          

 12 12  0  0  0  0            999 V2000
10000.014610000.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7294 9999.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.442110000.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1569 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.442110001.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7294 9999.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.301710000.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.587210000.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.872710000.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8727 9999.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5872 9998.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3017 9999.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
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3D MOL for HMDB0000159 (Phenylalanine)

HMDB0000159
     RDKit          3D
L-Phenylalanine
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.9546   -1.0339   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -0.5025   -0.6442 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7448   -0.8776    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604   -0.4240    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    0.8037    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853    1.2321    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428    0.4539    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.7729   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270   -1.1971   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    0.9624   -0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113    1.7160   -1.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    1.6076   -0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.5986   -0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -0.7702    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -0.9439   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274   -0.4118    1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -1.9691    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.4378    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6869    2.2148    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741    0.7896    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -1.3891   -0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   -2.1642   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3352    1.8371    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 12 23  1  0
M  END
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3D SDF for HMDB0000159 (Phenylalanine)


  Mrv1652309272007422D          

 12 12  0  0  0  0            999 V2000
10000.014610000.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7294 9999.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.442110000.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1569 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.442110001.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7294 9999.1769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.301710000.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.587210000.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.872710000.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8727 9999.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5872 9998.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3017 9999.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000159

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC1=CC=CC=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

> <INCHI_KEY>
COLNVLDHVKWLRT-QMMMGPOBSA-N

> <FORMULA>
C9H11NO2

> <MOLECULAR_WEIGHT>
165.1891

> <EXACT_MASS>
165.078978601

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
17.0319763846329

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-phenylpropanoic acid

> <ALOGPS_LOGP>
-1.35

> <JCHEM_LOGP>
-1.184438468740489

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.469229772182635

> <JCHEM_PKA_STRONGEST_BASIC>
9.446936344396194

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
45.11630000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-phenylalanine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000159 (Phenylalanine)

HMDB0000159
     RDKit          3D
L-Phenylalanine
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.9546   -1.0339   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222   -0.5025   -0.6442 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7448   -0.8776    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6604   -0.4240    0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771    0.8037    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853    1.2321    0.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3428    0.4539    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333   -0.7729   -0.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270   -1.1971   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    0.9624   -0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113    1.7160   -1.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    1.6076   -0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -0.5986   -0.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1410   -0.7702    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972   -0.9439   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2274   -0.4118    1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190   -1.9691    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.4378    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6869    2.2148    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741    0.7896    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6953   -1.3891   -0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3127   -2.1642   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3352    1.8371    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  3 16  1  0
  3 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 12 23  1  0
M  END
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PDB for HMDB0000159 (Phenylalanine)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8666.6948667.435   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8668.0288666.666   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8669.3598667.435   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8670.6938666.666   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.3598668.974   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0    8668.0288665.130   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0    8665.3638666.668   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8664.0298667.438   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8662.6968666.668   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8662.6968665.128   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8664.0298664.358   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8665.3638665.128   0.000  0.00  0.00           C+0
CONECT    1    2    7                                                       
CONECT    2    1    3    6                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    8   12    1                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0000159 (Phenylalanine)

COMPND    HMDB0000159
HETATM    1  N1  UNL     1       2.955  -1.034  -0.315  1.00  0.00           N  
HETATM    2  C1  UNL     1       1.622  -0.503  -0.644  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.745  -0.878   0.520  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.660  -0.424   0.378  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.077   0.804   0.854  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.385   1.232   0.723  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.343   0.454   0.109  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.933  -0.773  -0.369  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.627  -1.197  -0.236  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.778   0.962  -0.816  1.00  0.00           C  
HETATM   11  O1  UNL     1       0.811   1.716  -1.127  1.00  0.00           O  
HETATM   12  O2  UNL     1       3.005   1.608  -0.646  1.00  0.00           O  
HETATM   13  H1  UNL     1       3.688  -0.599  -0.941  1.00  0.00           H  
HETATM   14  H2  UNL     1       3.141  -0.770   0.680  1.00  0.00           H  
HETATM   15  H3  UNL     1       1.297  -0.944  -1.595  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.227  -0.412   1.429  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.819  -1.969   0.699  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.329   1.438   1.349  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.687   2.215   1.112  1.00  0.00           H  
HETATM   20  H8  UNL     1      -4.374   0.790   0.004  1.00  0.00           H  
HETATM   21  H9  UNL     1      -3.695  -1.389  -0.856  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.313  -2.164  -0.614  1.00  0.00           H  
HETATM   23  H11 UNL     1       3.335   1.837   0.302  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3   10   15
CONECT    3    4   16   17
CONECT    4    5    5    9
CONECT    5    6   18
CONECT    6    7    7   19
CONECT    7    8   20
CONECT    8    9    9   21
CONECT    9   22
CONECT   10   11   11   12
CONECT   12   23
END
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SMILES for HMDB0000159 (Phenylalanine)

N[C@@H](CC1=CC=CC=C1)C(O)=O
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INCHI for HMDB0000159 (Phenylalanine)

InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
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Synonyms
ValueSource
(S)-2-Amino-3-phenylpropionic acidChEBI
(S)-alpha-Amino-beta-phenylpropionic acidChEBI
3-Phenyl-L-alanineChEBI
beta-Phenyl-L-alanineChEBI
FChEBI
PheChEBI
PHENYLALANINEChEBI
(S)-2-Amino-3-phenylpropionateGenerator
(S)-a-Amino-b-phenylpropionateGenerator
(S)-a-Amino-b-phenylpropionic acidGenerator
(S)-alpha-Amino-beta-phenylpropionateGenerator
(S)-Α-amino-β-phenylpropionateGenerator
(S)-Α-amino-β-phenylpropionic acidGenerator
b-Phenyl-L-alanineGenerator
Β-phenyl-L-alanineGenerator
(-)-beta-PhenylalanineHMDB
(L)-PhenylalanineHMDB
(S)-(-)-PhenylalanineHMDB
(S)-2-Amino-3-phenylpropanoateHMDB
(S)-2-Amino-3-phenylpropanoic acidHMDB
(S)-alpha-Amino-benzenepropanoateHMDB
(S)-alpha-Amino-benzenepropanoic acidHMDB
(S)-alpha-AminobenzenepropanoateHMDB
(S)-alpha-Aminobenzenepropanoic acidHMDB
(S)-alpha-AminohydrocinnamateHMDB
(S)-alpha-Aminohydrocinnamic acidHMDB
(S)-PhenylalanineHMDB
alpha-AminohydrocinnamateHMDB
alpha-Aminohydrocinnamic acidHMDB
beta-Phenyl-alpha-alanineHMDB
beta-PhenylalanineHMDB
L-2-Amino-3-phenylpropionateHMDB
L-2-Amino-3-phenylpropionic acidHMDB
Phenyl-alanineHMDB
PhenylalamineHMDB
L-Isomer phenylalanineHMDB
Phenylalanine, L isomerHMDB
Phenylalanine, L-isomerHMDB
EndorphenylHMDB
(6S)-TetrahydrofolateHMDB
(6S)-Tetrahydrofolic acidHMDB
(6S)-THFAHMDB
5,6,7,8-TetrahydrofolateHMDB
TetrahydrofolateHMDB
THFHMDB
5,6,7,8-Tetrahydrofolic acidHMDB
Chemical FormulaC9H11NO2
Average Molecular Weight165.1891
Monoisotopic Molecular Weight165.078978601
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid
Traditional NameL-phenylalanine
CAS Registry Number63-91-2
SMILES
N[C@@H](CC1=CC=CC=C1)C(O)=O
InChI Identifier
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI KeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPhenylalanine and derivatives
Alternative Parents
Substituents
  • Phenylalanine or derivatives
  • 3-phenylpropanoic-acid
  • Alpha-amino acid
  • Amphetamine or derivatives
  • L-alpha-amino acid
  • Aralkylamine
  • Monocyclic benzene moiety
  • Benzenoid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Amine
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Health effectOrganoleptic effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point283 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility26.9 mg/mLNot Available
LogP-1.38AVDEEF,A (1997)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker140.9530932474
[M-H]-McLean141.34530932474
[M-H]-MetCCS_test_neg137.030932474
[M+H]+Astarita_pos135.030932474
[M+H]+Baker141.0230932474
[M+H]+McLean141.28930932474
[M+H]+MetCCS_test_pos140.28830932474
[M-H]-Not Available140.954http://allccs.zhulab.cn/database/detail?ID=AllCCS00001752
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.14 g/LALOGPS
logP-1.4ALOGPS
logP-1.2ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.47ChemAxon
pKa (Strongest Basic)9.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity45.12 m³·mol⁻¹ChemAxon
Polarizability17.03 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+136.75931661259
DarkChem[M-H]-134.97331661259
AllCCS[M+H]+136.85332859911
AllCCS[M-H]-135.24732859911
DeepCCS[M+H]+133.92630932474
DeepCCS[M+H]+130.07230932474
DeepCCS[M-H]-130.50630932474
DeepCCS[M-H]-126.24330932474
DeepCCS[M-2H]-167.71830932474
DeepCCS[M+Na]+143.25630932474
DeepCCS[M-2H]-163.62530932474
DeepCCS[M+Na]+139.11530932474
AllCCS[M+H]+136.932859911
AllCCS[M+H-H2O]+132.532859911
AllCCS[M+NH4]+140.932859911
AllCCS[M+Na]+142.032859911
AllCCS[M-H]-135.232859911
AllCCS[M+Na-2H]-136.332859911
AllCCS[M+HCOO]-137.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-PhenylalanineN[C@@H](CC1=CC=CC=C1)C(O)=O2751.8Standard polar33892256
L-PhenylalanineN[C@@H](CC1=CC=CC=C1)C(O)=O1455.3Standard non polar33892256
L-PhenylalanineN[C@@H](CC1=CC=CC=C1)C(O)=O1759.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Phenylalanine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C11560.0Semi standard non polar33892256
L-Phenylalanine,1TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O1640.3Semi standard non polar33892256
L-Phenylalanine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C1633.5Semi standard non polar33892256
L-Phenylalanine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C1685.3Standard non polar33892256
L-Phenylalanine,2TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C1959.2Standard polar33892256
L-Phenylalanine,2TMS,isomer #2C[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C1794.9Semi standard non polar33892256
L-Phenylalanine,2TMS,isomer #2C[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C1745.4Standard non polar33892256
L-Phenylalanine,2TMS,isomer #2C[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C2109.2Standard polar33892256
L-Phenylalanine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C1829.0Semi standard non polar33892256
L-Phenylalanine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C1803.3Standard non polar33892256
L-Phenylalanine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C1930.1Standard polar33892256
L-Phenylalanine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CC=CC=C11804.5Semi standard non polar33892256
L-Phenylalanine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O1869.4Semi standard non polar33892256
L-Phenylalanine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C2084.8Semi standard non polar33892256
L-Phenylalanine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C2095.0Standard non polar33892256
L-Phenylalanine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=CC=C1)C(=O)O[Si](C)(C)C(C)(C)C2236.3Standard polar33892256
L-Phenylalanine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C2238.1Semi standard non polar33892256
L-Phenylalanine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C2161.9Standard non polar33892256
L-Phenylalanine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=CC=C1)C(=O)O)[Si](C)(C)C(C)(C)C2295.2Standard polar33892256
L-Phenylalanine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2497.1Semi standard non polar33892256
L-Phenylalanine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2402.1Standard non polar33892256
L-Phenylalanine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2284.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-0fr6-1930000000-a37fbccaf826443ef70c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-014l-1940000000-537e2725d621246630c12014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (2 TMS)splash10-00di-9630000000-ead0919f9a19d2352d802014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-MS (1 TMS)splash10-00di-2900000000-cb2d6dc4bf95151503282014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-MS (2 TMS)splash10-014l-2960000000-f77489792f0652dd56132014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine EI-B (Non-derivatized)splash10-014l-0970000000-792b341dd28b9e30bac22017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Non-derivatized)splash10-0fr6-1930000000-a37fbccaf826443ef70c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Non-derivatized)splash10-014l-1940000000-537e2725d621246630c12017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-QQ (Non-derivatized)splash10-0ul9-3659000000-b85be4e71798e2fdc47b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-EI-TOF (Non-derivatized)splash10-00di-9630000000-ead0919f9a19d2352d802017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-MS (Non-derivatized)splash10-00di-2900000000-cb2d6dc4bf95151503282017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phenylalanine GC-MS (Non-derivatized)splash10-014l-2960000000-f77489792f0652dd56132017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9600000000-df38fcb743d8f44fb8762016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-7900000000-f21569d2ec75b88e1bda2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenylalanine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-00dl-9300000000-4782928378caea601f9b2018-05-25Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-014i-0900000000-0f3b994108b8a9fd2a562012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0gb9-2900000000-c14d44c8a67621757f3d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-004i-9300000000-08c642dab7f49c00da432012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-0900000000-7dce1e473976f7d2143e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0f6x-9600000000-711557391093b0d8500a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00di-0900000000-0c25a5c116eac7bb059b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00di-0900000000-2804f79084ac4e67e1552012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-0900000000-8a71bb1f8424064d7caf2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0f6x-9800000000-e027ff6bb67ce55e80a52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-0900000000-9f6185e9c7d54189f3692012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00di-0900000000-df5f72fe2bba917424272012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0ir3-0988735721-bac229222fe7b52812a82012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0002-0900000000-453477dec847a3672ffe2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-0a4i-0010963000-079a66bf710f6778bceb2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-00di-0000009000-62dbe98de4ecde484fb32012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-03di-0900000000-80558c17dc1845663c852012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-0002-3900000000-e1ee31d41e48824e84b72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-0f6x-9500000000-cc11290a37615f24e16e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-0006-9000000000-1a6020bce0e1a9a148322012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-0006-9000000000-38c044a112152626962e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-014i-0900000000-9b908abfcb63153d60b32012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-00di-1900000000-3ba5964e151bb1d561882012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-00di-2900000000-20a7d24da0281f5b3b782012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0udi-5900000000-1800642a835b49f3398a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenylalanine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-0fb9-9300000000-f262384c85fb843f8a112012-08-31HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Quadrupole Ion Trap, ESI+, Adduct: [M+H]+)2022-02-11FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Quadrupole Ion Trap, ESI-, Adduct: [M-H]-)2022-02-11FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • All Tissues
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified78.1 +/- 20.5 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified48 (50-52) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified85.2 +/- 23 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified57.0 (48.0-66.0) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified16-71 uMNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified24-80 uMInfant (1 - 3 months old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified34-101 uMChildren (3 months - 6 years old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified39-76 uMChildren (6 - 18 years old)Both
Normal
    • BC Children's Hos...
 details
BloodDetected and Quantified80.0 +/- 20.0 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified60.0 +/- 8.0 uMChildren (1-13 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified65.0 +/- 9.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified56.0 +/- 8.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified<70 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified108 (96.80-124) uMNewborn (0-30 days old)Not Available
Normal		 details
BloodDetected and Quantified93.6 (75.8-114) uMInfant (0-1 year old)Not Available
Normal		 details
BloodDetected and Quantified70(10.98) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified60 +/- 7 uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified52 +/- 5 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified47 +/- 5 uMChildren (1 - 13 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified40.0-75.0 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified56 +/- 8 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified60.0 +/- 7.75 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified65 +/- 9 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified81.9(70.6-94.3) uMChildren (1-13 uears old)Both
Normal		 details
BloodDetected and Quantified<120 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified166.0 +/- 3.0 uMAdult (>18 years old)BothNormal details
Breast MilkDetected and Quantified13.1 +/- 3.9 uMAdult (>18 years old)Female
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified10.4 (7.58-13.2) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified15 +/- 13 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified18.0 +/- 7.2 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified12.5 +/- 2.9 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified10.8 +/- 4.2 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified12.5 +/- 2.6 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.3 +/- 0.81 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified6.5 +/- 1.2 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified4-20 uMChildren (0 - 10 years old)Both
Normal
    • BC Children's Hos...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified6.6-15 uMAdolescent (>11 years old)Both
Normal
    • BC Children's Hos...
 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal		 details
FecesDetected and Quantified3450.591 (2159.142-3652.380) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified3813.811 (665.904-6961.718) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified6396.709 (3632.201-9161.218) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified41.770 +/- 42.134 nmol/g wet fecesNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified253.0433 +/- 397.726 nmol/g wet fecesNot SpecifiedNot Specified
Normal		 details
FecesDetected and Quantified670 +/- 410 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified120 +/- 120 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleNormal details
SalivaDetected and Quantified10.69 +/- 6.28 uMAdult (>18 years old)FemaleNormal details
SalivaDetected and Quantified5.55 +/- 4.30 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified<1-68 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified<1-54 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified18 (<1-112) uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified8 (<1-54) uMAdult (>18 years old)Female
Normal		 details
SalivaDetected and Quantified8.24 +/- 6.51 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected and Quantified10.8 +/- 3.3 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified1-187 uMAdult (>18 years old)Male
normal		 details
SalivaDetected and Quantified1-32 uMAdult (>18 years old)Male
normal		 details
SalivaDetected and Quantified12.0 +/- 6.5 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified7.1 +/- 6.4 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified43.70 +/- 23.30 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified10.3 +/- 3.8 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified>10 uMAdult (>18 years old)BothNormal details
SweatDetected and Quantified40-260 uMAdult (60 years old)Male
Normal		 details
SweatDetected and Quantified< 10 uMAdult (40 years old)Male
Normal		 details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
UrineDetected and Quantified3.17 - 37.65 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified6.90 - 32.79 umol/mmol creatinineInfant (1 - 6 months old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified11.76 - 32.79 umol/mmol creatinineInfant (6 months - <1 year old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified10.51 - 36.41 umol/mmol creatinineChildren (1 - 2 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified6.90 - 24.19 umol/mmol creatinineChildren (2 - 4 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified4.41 - 30.30 umol/mmol creatinineChildren (4 - 13 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified0.79 - 21.71 umol/mmol creatinineAdolescent (13 - 21 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified0.79 - 21.71 umol/mmol creatinineAdult (>21 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified7.8 (5.0-11.3) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified2.38-11.99 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified5.9 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified1.24-12.56 umol/mmol creatinineAdolescent (13-18 years old)Not SpecifiedNormal details
UrineDetected and Quantified14.389 +/- 18.635 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified3.63-18.17 umol/mmol creatinineAdult (>18 years old)BothNormal
    • David F. Putnam C...
 details
UrineDetected and Quantified2.6-4.4 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified0.40-21.24 umol/mmol creatinineNewborn (0-30 days old)Female
Normal		 details
UrineDetected and Quantified13.02 +/- 9.04 umol/mmol creatinineChildren (0-2 years old)Male
Normal		 details
UrineDetected and Quantified13.79 +/- 9.45 umol/mmol creatinineChildren (0-2 years old)Female
Normal		 details
UrineDetected and Quantified3.65 +/- 2.73 umol/mmol creatinineNewborn (0-30 days old)Male
Normal		 details
UrineDetected and Quantified8.04 +/- 6.10 umol/mmol creatinineNewborn (0-30 days old)Female
Normal		 details
UrineDetected and Quantified1.47-7.92 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified6.4 (3.5-11.2) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.7 +/- 0.3 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified1.1 +/- 0.5 umol/mmol creatinineInfant (1 - 6 months old)Both
Normal		 details
UrineDetected and Quantified1.5 +/- 0.6 umol/mmol creatinineInfant (6 months - <1 year old)Both
Normal		 details
UrineDetected and Quantified1.58-31.67 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified4.605 (1.645-7.566) umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
UrineDetected and Quantified4.50 +/- 1.15 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified5.9 (2.8-10.8) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified14.67 (5.33-24) umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified1.61 +/- 1.0 umol/mmol creatinineChildren (1-13 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified4.5 +/- 1.87 umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified4.0 +/- 1.76 umol/mmol creatinineAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified3.85-28.73 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified4-30 umol/mmol creatinineInfant (0-1 year old)Both
Normal		 details
UrineDetected and Quantified4-30 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified3.1-5.0 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected and Quantified12.44 +/- 9.04 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified18.09 +/- 15.83 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified26.004 +/- 13.57 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified3.7 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified23.59 +/- 16.02 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified4.14-14.15 umol/mmol creatinineNewborn (0-30 days old)BothNormal details
UrineDetected and Quantified15.2043 +/- 4.9763 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified7.59 +/- 2.54 umol/mmol creatinineNewborn (0-30 days old)FemaleNormal details
UrineDetected and Quantified7.57 +/- 2.52 umol/mmol creatinineNewborn (0-30 days old)MaleNormal details
UrineDetected and Quantified2.26-16.97 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified9.18 (7.09-15.78) umol/mmol creatinineNewborn (0-30 days old)Both
Normal
    • Analysis of 40 NI...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified60.3 +/- 16.8 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified66.5 +/- 14.6 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified49.6 (47.1-52.1) uMAdult (>18 years old)Both
Epilepsy		 details
BloodDetected and Quantified53.1 (50.8-55.4) uMChildren (1-13 years old)Both
Epilepsy		 details
BloodDetected and Quantified75.0 (67.0-83.0) uMAdult (>18 years old)BothDengue fever details
BloodDetected and Quantified101.0 (97.0-105.0) uMAdult (>18 years old)BothMyocardial infarction details
BloodDetected and Quantified98.0 - 113.0 uMNewborn (0-30 days old)BothMaple syrup urine disease (MSUD) details
BloodDetected and Quantified143.0 (128.0-158.0) uMAdult (>18 years old)Both
Bacterial infections (assorted)		 details
BloodDetected and Quantified171.0 (140.0-202.0) uMAdult (>18 years old)Both
Viral infections (assorted)		 details
BloodDetected and Quantified571.0 - 1023.0 uMNewborn (0-30 days old)BothPhenylketonuria details
BloodDetected and Quantified44.8 +/- 21 uMAdult (>18 years old)BothHeart Transplant details
BloodDetected and Quantified74.91 +/- 34.67 uMAdult (>18 years old)Female
Pregnancy with fetuses with trisomy 18		 details
BloodDetected and Quantified58.24 +/- 28.67 uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified62.9 (12.1) uMAdult (>18 years old)FemaleEarly preeclampsia details
BloodDetected and Quantified79.6 (42.7) uMAdult (>18 years old)FemalePregnancy details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
BloodDetected and Quantified360-1200 uMNewborn (0-30 days old)BothHyperphenylalaninemia due to 6-pyruvoyltetrahydropterin synthase deficiency (PTPS) details
BloodDetected and Quantified152(100-450) uMAdult (>18 years old)BothSepsis details
BloodDetected and Quantified44.46 (12.81) uMAdult (>18 years old)FemalePregnancy with fetus having congenital heart defect details
BloodDetected and Quantified1210.734 uMInfant (0-1 year old)MalePhenylketonuria details
BloodDetected and Quantified43.9 (15.78) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified1004.909-1210.734 uMChildren (1 - 13 years old)MalePhenylketonuria details
BloodDetected and Quantified78.0 (45.9) uMAdult (>18 years old)FemaleLate-onset preeclampsia details
BloodDetected and Quantified76.83(15.96) uMAdult (>18 years old)BothHeart failure with preserved ejection fraction details
BloodDetected and Quantified80.9 (45.4) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified64 +/- 8 uMAdult (>18 years old)MaleSchizophrenia details
BloodDetected and Quantified57 +/- 8 uMAdolescent (13-18 years old)FemaleSchizophrenia details
BloodDetected and Quantified39.954 uMNewborn (0-30 days old)FemaleHyperphenylalaninemia due to pterin-4a-carbinolamine dehydratase details
BloodDetected and Quantified85.5(75.5-99.5) uMChildren (1-13 uears old)Both
Environmental enteric dysfunction		 details
BloodDetected and Quantified71.77 +/- 9.21 uMElderly (>65 years old)BothAlzheimer's disease details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Pancreatic ductal adenocarcinoma		 details
BloodDetected and Quantified1000-2400 uMNewborn (0-30 days old)MaleHyperphenylalaninemia due to guanosine triphosphate cyclohydrolase deficiency details
BloodDetected and Quantified55.4 (27.0) uMAdult (>18 years old)FemaleDown syndrome pregnancy details
BloodDetected and Quantified46.2 (30.8) uMAdult (>18 years old)FemalePregnancy details
Cerebrospinal Fluid (CSF)Detected and Quantified14.7 (11.6-17.8) uMAdult (>18 years old)BothHypothyroidism details
Cerebrospinal Fluid (CSF)Detected and Quantified18.6 +/- 5.2 uMChildren (1-13 years old)Not Specified
Leukemia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified16.4 +/- 6.3 uMChildren (1-13 years old)Not SpecifiedLeukemia details
Cerebrospinal Fluid (CSF)Detected and Quantified14.7 +/- 3.1 uMAdult (>18 years old)Not SpecifiedHypothyroidism details
Cerebrospinal Fluid (CSF)Detected and Quantified6.0 +/- 0.8 uMAdult (>18 years old)BothAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified14.7 +/- 3.1 uMAdult (>18 years old)BothHypothyroidism details
Cerebrospinal Fluid (CSF)Detected and Quantified4.6 +/- 1.0 uMAdult (>18 years old)BothSchizophrenia details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothAutism details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Femaleankylosing spondylitis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Femalerheumatoid arthritis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothIleal Crohn's disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleMyalgic encephalomyelitis/chronic fatigue syndrome details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Ulcerative colitis		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Crohn disease		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Ulcerative colitis		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable Bowel Syndrome		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleGout details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleAttachment loss  details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MalePeriodontal Probing Depth details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleBreast cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPancreatic cancer details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedPeriodontal diseases details
SalivaDetected and Quantified5.97 +/- 0.09 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral squamous cell carcinoma (OSCC) details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothOral leukoplakia (OLK) details
SalivaDetected and Quantified9.01 +/- 2.41 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected and Quantified8.55 +/- 1.22 uMAdult (>18 years old)BothLewy body disease details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
UrineDetected and Quantified17.479 +/- 13.832 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified253.238 umol/mmol creatinineChildren (1 - 13 years old)MalePhenylketonuria details
UrineDetected and Quantified414.763 umol/mmol creatinineInfant (0-1 year old)MalePhenylketonuria details
UrineDetected and Quantified1.37 +/- 0.18 umol/mmol creatinineAdult (>18 years old)BothAlzheimer's disease details
UrineDetected and Quantified11.9892 +/- 6.1922 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified10.2356 +/- 6.7416 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Analysis of 30 no...
 details
Associated Disorders and Diseases
Disease References
Epilepsy
  1. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
Dengue fever
  1. Klassen P, Furst P, Schulz C, Mazariegos M, Solomons NW: Plasma free amino acid concentrations in healthy Guatemalan adults and in patients with classic dengue. Am J Clin Nutr. 2001 Mar;73(3):647-52. [PubMed:11237944 ]
Myocardial infarction
  1. Wannemacher RW Jr, Klainer AS, Dinterman RE, Beisel WR: The significance and mechanism of an increased serum phenylalanine-tyrosine ratio during infection. Am J Clin Nutr. 1976 Sep;29(9):997-1006. [PubMed:822705 ]
Maple syrup urine disease
  1. Deng C, Shang C, Hu Y, Zhang X: Rapid diagnosis of phenylketonuria and other aminoacidemias by quantitative analysis of amino acids in neonatal blood spots by gas chromatography-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Jul 25;775(1):115-20. [PubMed:12101068 ]
Bacterial infections
  1. Wannemacher RW Jr, Klainer AS, Dinterman RE, Beisel WR: The significance and mechanism of an increased serum phenylalanine-tyrosine ratio during infection. Am J Clin Nutr. 1976 Sep;29(9):997-1006. [PubMed:822705 ]
Viral infection
  1. Wannemacher RW Jr, Klainer AS, Dinterman RE, Beisel WR: The significance and mechanism of an increased serum phenylalanine-tyrosine ratio during infection. Am J Clin Nutr. 1976 Sep;29(9):997-1006. [PubMed:822705 ]
Phenylketonuria
  1. Deng C, Shang C, Hu Y, Zhang X: Rapid diagnosis of phenylketonuria and other aminoacidemias by quantitative analysis of amino acids in neonatal blood spots by gas chromatography-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Jul 25;775(1):115-20. [PubMed:12101068 ]
  2. Swarna M, Jyothy A, Usha Rani P, Reddy PP: Amino acid disorders in mental retardation: a two-decade study from Andhra Pradesh. Biochem Genet. 2004 Apr;42(3-4):85-98. [PubMed:15168722 ]
Alzheimer's disease
  1. Fonteh AN, Harrington RJ, Tsai A, Liao P, Harrington MG: Free amino acid and dipeptide changes in the body fluids from Alzheimer's disease subjects. Amino Acids. 2007 Feb;32(2):213-24. Epub 2006 Oct 10. [PubMed:17031479 ]
  2. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Early preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
Pregnancy
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
  2. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
  3. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester Down syndrome prediction. Am J Obstet Gynecol. 2013 May;208(5):371.e1-8. doi: 10.1016/j.ajog.2012.12.035. Epub 2013 Jan 8. [PubMed:23313728 ]
  4. Bahado-Singh RO, Akolekar R, Chelliah A, Mandal R, Dong E, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester trisomy 18 detection. Am J Obstet Gynecol. 2013 Jul;209(1):65.e1-9. doi: 10.1016/j.ajog.2013.03.028. Epub 2013 Mar 25. [PubMed:23535240 ]
  5. Bahado-Singh RO, Ertl R, Mandal R, Bjorndahl TC, Syngelaki A, Han B, Dong E, Liu PB, Alpay-Savasan Z, Wishart DS, Nicolaides KH: Metabolomic prediction of fetal congenital heart defect in the first trimester. Am J Obstet Gynecol. 2014 Sep;211(3):240.e1-240.e14. doi: 10.1016/j.ajog.2014.03.056. Epub 2014 Apr 1. [PubMed:24704061 ]
Late-onset preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
Obesity
  1. Simone Wahl, Christina Holzapfel, Zhonghao Yu, Michaela Breier, Ivan Kondofersky, Christiane Fuchs, Paula Singmann, Cornelia Prehn, Jerzy Adamski, Harald Grallert, Thomas Illig, Rui Wang-Sattler, Thomas Reinehr (2013). Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children. Metabolomics.
Pterin-4a carbinolamine dehydratase deficiency
  1. Blaskovics M, Giudici TA: A new variant of biopterin deficiency. N Engl J Med. 1988 Dec 15;319(24):1611-2. doi: 10.1056/NEJM198812153192420. [PubMed:3200274 ]
Guanosine triphosphate cyclohydrolase deficiency
  1. Dhondt JL, Farriaux JP, Boudha A, Largilliere C, Ringel J, Roger MM, Leeming RJ: Neonatal hyperphenylalaninemia presumably caused by guanosine triphosphate-cyclohydrolase deficiency. J Pediatr. 1985 Jun;106(6):954-6. [PubMed:3873535 ]
6-Pyruvoyltetrahydropterin synthase deficiency
  1. Thony B, Leimbacher W, Blau N, Harvie A, Heizmann CW: Hyperphenylalaninemia due to defects in tetrahydrobiopterin metabolism: molecular characterization of mutations in 6-pyruvoyl-tetrahydropterin synthase. Am J Hum Genet. 1994 May;54(5):782-92. [PubMed:8178819 ]
Sepsis
  1. Ferrario M, Cambiaghi A, Brunelli L, Giordano S, Caironi P, Guatteri L, Raimondi F, Gattinoni L, Latini R, Masson S, Ristagno G, Pastorelli R: Mortality prediction in patients with severe septic shock: a pilot study using a target metabolomics approach. Sci Rep. 2016 Feb 5;6:20391. doi: 10.1038/srep20391. [PubMed:26847922 ]
Hypothyroidism
  1. Sjoberg S, Eriksson M, Nordin C: L-thyroxine treatment and neurotransmitter levels in the cerebrospinal fluid of hypothyroid patients: a pilot study. Eur J Endocrinol. 1998 Nov;139(5):493-7. [PubMed:9849813 ]
Leukemia
  1. Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. Epub 2005 Apr 14. [PubMed:15911239 ]
Schizophrenia
  1. Do KQ, Lauer CJ, Schreiber W, Zollinger M, Gutteck-Amsler U, Cuenod M, Holsboer F: gamma-Glutamylglutamine and taurine concentrations are decreased in the cerebrospinal fluid of drug-naive patients with schizophrenic disorders. J Neurochem. 1995 Dec;65(6):2652-62. [PubMed:7595563 ]
  2. Bjerkenstedt L, Edman G, Hagenfeldt L, Sedvall G, Wiesel FA: Plasma amino acids in relation to cerebrospinal fluid monoamine metabolites in schizophrenic patients and healthy controls. Br J Psychiatry. 1985 Sep;147:276-82. [PubMed:2415198 ]
Irritable bowel syndrome
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
  2. Hong YS, Hong KS, Park MH, Ahn YT, Lee JH, Huh CS, Lee J, Kim IK, Hwang GS, Kim JS: Metabonomic understanding of probiotic effects in humans with irritable bowel syndrome. J Clin Gastroenterol. 2011 May-Jun;45(5):415-25. doi: 10.1097/MCG.0b013e318207f76c. [PubMed:21494186 ]
Ulcerative colitis
  1. Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
  2. Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1. [PubMed:25598765 ]
  3. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
  4. Azario I, Pievani A, Del Priore F, Antolini L, Santi L, Corsi A, Cardinale L, Sawamoto K, Kubaski F, Gentner B, Bernardo ME, Valsecchi MG, Riminucci M, Tomatsu S, Aiuti A, Biondi A, Serafini M: Neonatal umbilical cord blood transplantation halts skeletal disease progression in the murine model of MPS-I. Sci Rep. 2017 Aug 25;7(1):9473. doi: 10.1038/s41598-017-09958-9. [PubMed:28842642 ]
Colorectal cancer
  1. Weir TL, Manter DK, Sheflin AM, Barnett BA, Heuberger AL, Ryan EP: Stool microbiome and metabolome differences between colorectal cancer patients and healthy adults. PLoS One. 2013 Aug 6;8(8):e70803. doi: 10.1371/journal.pone.0070803. Print 2013. [PubMed:23940645 ]
  2. Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14. [PubMed:25105552 ]
  3. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  4. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  5. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
  6. Wang X, Wang J, Rao B, Deng L: Gut flora profiling and fecal metabolite composition of colorectal cancer patients and healthy individuals. Exp Ther Med. 2017 Jun;13(6):2848-2854. doi: 10.3892/etm.2017.4367. Epub 2017 Apr 20. [PubMed:28587349 ]
Autism
  1. De Angelis M, Piccolo M, Vannini L, Siragusa S, De Giacomo A, Serrazzanetti DI, Cristofori F, Guerzoni ME, Gobbetti M, Francavilla R: Fecal microbiota and metabolome of children with autism and pervasive developmental disorder not otherwise specified. PLoS One. 2013 Oct 9;8(10):e76993. doi: 10.1371/journal.pone.0076993. eCollection 2013. [PubMed:24130822 ]
Crohn's disease
  1. Bjerrum JT, Wang Y, Hao F, Coskun M, Ludwig C, Gunther U, Nielsen OH: Metabonomics of human fecal extracts characterize ulcerative colitis, Crohn's disease and healthy individuals. Metabolomics. 2015;11:122-133. Epub 2014 Jun 1. [PubMed:25598765 ]
  2. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
  3. Azario I, Pievani A, Del Priore F, Antolini L, Santi L, Corsi A, Cardinale L, Sawamoto K, Kubaski F, Gentner B, Bernardo ME, Valsecchi MG, Riminucci M, Tomatsu S, Aiuti A, Biondi A, Serafini M: Neonatal umbilical cord blood transplantation halts skeletal disease progression in the murine model of MPS-I. Sci Rep. 2017 Aug 25;7(1):9473. doi: 10.1038/s41598-017-09958-9. [PubMed:28842642 ]
Gout
  1. Shao T, Shao L, Li H, Xie Z, He Z, Wen C: Combined Signature of the Fecal Microbiome and Metabolome in Patients with Gout. Front Microbiol. 2017 Feb 21;8:268. doi: 10.3389/fmicb.2017.00268. eCollection 2017. [PubMed:28270806 ]
Rheumatoid arthritis
  1. Tie-juan ShaoZhi-xing HeZhi-jun XieHai-chang LiMei-jiao WangCheng-ping Wen. Characterization of ankylosing spondylitis and rheumatoid arthritis using 1H NMR-based metabolomics of human fecal extracts. Metabolomics. April 2016, 12:70 [Link]
Perillyl alcohol administration for cancer treatment
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Pancreatic cancer
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Periodontal disease
  1. Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
Frontotemporal dementia
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Attachment loss
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Periodontal Probing Depth
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDDB00120
Phenol Explorer Compound IDNot Available
FooDB IDFDB004940
KNApSAcK IDC00001386
Chemspider ID5910
KEGG Compound IDC00079
BioCyc IDPHE
BiGG ID33775
Wikipedia LinkPhenylalanine
METLIN ID28
PubChem Compound6140
PDB IDNot Available
ChEBI ID17295
Food Biomarker OntologyNot Available
VMH IDPHE_L
MarkerDB IDMDB00000077
Good Scents IDNot Available
References
Synthesis ReferenceZhou, Hua; Zhong, Yao; Sun, Guanghai; Wei, Ping. Preparation of L-phenylalanine by an aqueous two-phase system. Huaxue Fanying Gongcheng Yu Gongyi (2006), 22(2), 146-150.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Silwood CJ, Lynch E, Claxson AW, Grootveld MC: 1H and (13)C NMR spectroscopic analysis of human saliva. J Dent Res. 2002 Jun;81(6):422-7. [PubMed:12097436 ]
  3. Nicholson JK, O'Flynn MP, Sadler PJ, Macleod AF, Juul SM, Sonksen PH: Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects. Biochem J. 1984 Jan 15;217(2):365-75. [PubMed:6696735 ]
  4. Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. [PubMed:12834252 ]
  5. Sjoberg S, Eriksson M, Nordin C: L-thyroxine treatment and neurotransmitter levels in the cerebrospinal fluid of hypothyroid patients: a pilot study. Eur J Endocrinol. 1998 Nov;139(5):493-7. [PubMed:9849813 ]
  6. Hagenfeldt L, Bjerkenstedt L, Edman G, Sedvall G, Wiesel FA: Amino acids in plasma and CSF and monoamine metabolites in CSF: interrelationship in healthy subjects. J Neurochem. 1984 Mar;42(3):833-7. [PubMed:6198473 ]
  7. Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. Epub 2005 Apr 14. [PubMed:15911239 ]
  8. Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. [PubMed:12297216 ]
  9. Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. [PubMed:14992292 ]
  10. Deng C, Shang C, Hu Y, Zhang X: Rapid diagnosis of phenylketonuria and other aminoacidemias by quantitative analysis of amino acids in neonatal blood spots by gas chromatography-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2002 Jul 25;775(1):115-20. [PubMed:12101068 ]
  11. Wannemacher RW Jr, Klainer AS, Dinterman RE, Beisel WR: The significance and mechanism of an increased serum phenylalanine-tyrosine ratio during infection. Am J Clin Nutr. 1976 Sep;29(9):997-1006. [PubMed:822705 ]
  12. Doellgast GJ, Meis PJ: Use of specific inhibitors to disciminate alkaline phosphatase isoenzymes originating from human liver, placenta and intestine: absence of meconial alkaline phosphatase in maternal serum. Clin Chem. 1979 Jul;25(7):1230-3. [PubMed:455643 ]
  13. Kersemans V, Cornelissen B, Kersemans K, Bauwens M, Achten E, Dierckx RA, Mertens J, Slegers G: In vivo characterization of 123/125I-2-iodo-L-phenylalanine in an R1M rhabdomyosarcoma athymic mouse model as a potential tumor tracer for SPECT. J Nucl Med. 2005 Mar;46(3):532-9. [PubMed:15750170 ]
  14. Klassen P, Furst P, Schulz C, Mazariegos M, Solomons NW: Plasma free amino acid concentrations in healthy Guatemalan adults and in patients with classic dengue. Am J Clin Nutr. 2001 Mar;73(3):647-52. [PubMed:11237944 ]
  15. van Spronsen FJ, Hoeksma M, Reijngoud DJ: Brain dysfunction in phenylketonuria: is phenylalanine toxicity the only possible cause? J Inherit Metab Dis. 2009 Feb;32(1):46-51. doi: 10.1007/s10545-008-0946-2. Epub 2009 Jan 13. [PubMed:19191004 ]
  16. Adler-Abramovich L, Vaks L, Carny O, Trudler D, Magno A, Caflisch A, Frenkel D, Gazit E: Phenylalanine assembly into toxic fibrils suggests amyloid etiology in phenylketonuria. Nat Chem Biol. 2012 Aug;8(8):701-6. doi: 10.1038/nchembio.1002. Epub 2012 Jun 17. [PubMed:22706200 ]
  17. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
  18. Huang SS, Lin JY, Chen WS, Liu MH, Cheng CW, Cheng ML, Wang CH: Phenylalanine- and leucine-defined metabolic types identify high mortality risk in patients with severe infection. Int J Infect Dis. 2019 Aug;85:143-149. doi: 10.1016/j.ijid.2019.05.030. Epub 2019 Jun 3. [PubMed:31170548 ]
  19. Chen WS, Wang CH, Cheng CW, Liu MH, Chu CM, Wu HP, Huang PC, Lin YT, Ko T, Chen WH, Wang HJ, Lee SC, Liang CY: Elevated plasma phenylalanine predicts mortality in critical patients with heart failure. ESC Heart Fail. 2020 Oct;7(5):2884-2893. doi: 10.1002/ehf2.12896. Epub 2020 Jul 2. [PubMed:32618142 ]
  20. Freund HR, Ryan JA Jr, Fischer JE: Amino acid derangements in patients with sepsis: treatment with branched chain amino acid rich infusions. Ann Surg. 1978 Sep;188(3):423-30. doi: 10.1097/00000658-197809000-00017. [PubMed:99098 ]
  21. Knuplez E, Marsche G: An Updated Review of Pro- and Anti-Inflammatory Properties of Plasma Lysophosphatidylcholines in the Vascular System. Int J Mol Sci. 2020 Jun 24;21(12). pii: ijms21124501. doi: 10.3390/ijms21124501. [PubMed:32599910 ]
  22. Cannet C, Bayat A, Frauendienst-Egger G, Freisinger P, Spraul M, Himmelreich N, Kockaya M, Ahring K, Godejohann M, MacDonald A, Trefz F: Phenylketonuria (PKU) Urinary Metabolomic Phenotype Is Defined by Genotype and Metabolite Imbalance: Results in 51 Early Treated Patients Using Ex Vivo (1)H-NMR Analysis. Molecules. 2023 Jun 22;28(13):4916. doi: 10.3390/molecules28134916. [PubMed:37446577 ]

Only showing the first 10 proteins. There are 19 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Tyrosine 3-monooxygenase
General function:
Involved in monooxygenase activity
Specific function:
Plays an important role in the physiology of adrenergic neurons.
Gene Name:
TH
Uniprot ID:
P07101
Molecular weight:
55611.26
References
  1. Fukami MH, Haavik J, Flatmark T: Phenylalanine as substrate for tyrosine hydroxylase in bovine adrenal chromaffin cells. Biochem J. 1990 Jun 1;268(2):525-8. [PubMed:1973034 ]
  2. Ogawa S, Ichinose H: Effect of metals and phenylalanine on the activity of human tryptophan hydroxylase-2: comparison with that on tyrosine hydroxylase activity. Neurosci Lett. 2006 Jul 3;401(3):261-5. Epub 2006 Apr 11. [PubMed:16581181 ]
  3. Schallreuter KU, Kothari S, Hasse S, Kauser S, Lindsey NJ, Gibbons NC, Hibberts N, Wood JM: In situ and in vitro evidence for DCoH/HNF-1 alpha transcription of tyrosinase in human skin melanocytes. Biochem Biophys Res Commun. 2003 Feb 7;301(2):610-6. [PubMed:12565907 ]
  4. McQuade PS, Juorio AV: The effect of various amino acids and drugs on the para- and meta-hydroxyphenylacetic acid concentrations in the mouse caudate nucleus. Neurochem Res. 1983 Jul;8(7):903-12. [PubMed:6621777 ]
  5. Fusetti F, Erlandsen H, Flatmark T, Stevens RC: Structure of tetrameric human phenylalanine hydroxylase and its implications for phenylketonuria. J Biol Chem. 1998 Jul 3;273(27):16962-7. [PubMed:9642259 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
Enzyme Details
2. Phenylalanine--tRNA ligase alpha subunit
General function:
Involved in nucleotide binding
Specific function:
Not Available
Gene Name:
FARSA
Uniprot ID:
Q9Y285
Molecular weight:
57563.225
Reactions
Adenosine triphosphate + Phenylalanine + tRNA(Phe) → Adenosine monophosphate + Pyrophosphate + L-phenylalanyl-tRNA(Phe)details
Adenosine triphosphate + Phenylalanine + tRNA(Phe) → Adenosine monophosphate + Pyrophosphate + L-Phenylalanyl-tRNA(Phe)details
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Kodama K, Fukuzawa S, Sakamoto K, Nakayama H, Kigawa T, Yabuki T, Matsuda N, Shirouzu M, Takio K, Tachibana K, Yokoyama S: A new protein engineering approach combining chemistry and biology, part I; site-specific incorporation of 4-iodo-L-phenylalanine in vitro by using misacylated suppressor tRNAPhe. Chembiochem. 2006 Oct;7(10):1577-81. [PubMed:16969782 ]
  4. Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807. [PubMed:16338408 ]
Enzyme Details
3. Phenylalanine--tRNA ligase, mitochondrial
General function:
Involved in nucleotide binding
Specific function:
Catalyzes direct attachment of p-Tyr (Tyr) to tRNAPhe. Permits also, with a lower efficiency, the attachment of m-Tyr to tRNAPhe, thereby opening the way for delivery of the misacylated tRNA to the ribosome and incorporation of ROS-damaged amino acid into proteins.
Gene Name:
FARS2
Uniprot ID:
O95363
Molecular weight:
52356.21
Reactions
Adenosine triphosphate + Phenylalanine + tRNA(Phe) → Adenosine monophosphate + Pyrophosphate + L-phenylalanyl-tRNA(Phe)details
Adenosine triphosphate + Phenylalanine + tRNA(Phe) → Adenosine monophosphate + Pyrophosphate + L-Phenylalanyl-tRNA(Phe)details
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Kodama K, Fukuzawa S, Sakamoto K, Nakayama H, Kigawa T, Yabuki T, Matsuda N, Shirouzu M, Takio K, Tachibana K, Yokoyama S: A new protein engineering approach combining chemistry and biology, part I; site-specific incorporation of 4-iodo-L-phenylalanine in vitro by using misacylated suppressor tRNAPhe. Chembiochem. 2006 Oct;7(10):1577-81. [PubMed:16969782 ]
  4. Kotik-Kogan O, Moor N, Tworowski D, Safro M: Structural basis for discrimination of L-phenylalanine from L-tyrosine by phenylalanyl-tRNA synthetase. Structure. 2005 Dec;13(12):1799-807. [PubMed:16338408 ]
Enzyme Details
4. Tyrosine aminotransferase
General function:
Involved in 1-aminocyclopropane-1-carboxylate synthase activity
Specific function:
Transaminase involved in tyrosine breakdown. Converts tyrosine to p-hydroxyphenylpyruvate. Can catalyze the reverse reaction, using glutamic acid, with 2-oxoglutarate as cosubstrate (in vitro). Has much lower affinity and transaminase activity towards phenylalanine.
Gene Name:
TAT
Uniprot ID:
P17735
Molecular weight:
50398.895
Reactions
Phenylalanine + Oxoglutaric acid → Phenylpyruvic acid + Glutamic aciddetails
References
  1. Luong TN, Kirsch JF: A continuous coupled spectrophotometric assay for tyrosine aminotransferase activity with aromatic and other nonpolar amino acids. Anal Biochem. 1997 Nov 1;253(1):46-9. [PubMed:9356140 ]
  2. Rege AA: Purification and characterization of a tyrosine aminotransferase from Crithidia fasciculata. Mol Biochem Parasitol. 1987 Aug;25(1):1-9. [PubMed:2890101 ]
  3. De-Eknamkul W, Ellis BE: Behavior of Free Aromatic Amino Acid Pools in Rosmarinic Acid-Producing Cell Cultures of Anchusa officinalis L. Plant Physiol. 1989 Feb;89(2):429-33. [PubMed:16666560 ]
  4. Patrizio M, Colucci M, Levi G: Human immunodeficiency virus type 1 Tat protein decreases cyclic AMP synthesis in rat microglia cultures. J Neurochem. 2001 Apr;77(2):399-407. [PubMed:11299302 ]
Enzyme Details
5. Aromatic-L-amino-acid decarboxylase
General function:
Involved in carboxy-lyase activity
Specific function:
Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine, L-5-hydroxytryptophan to serotonin and L-tryptophan to tryptamine.
Gene Name:
DDC
Uniprot ID:
P20711
Molecular weight:
53893.755
Reactions
Phenylalanine → Phenylethylamine + Carbon dioxidedetails
Enzyme Details
6. Lactoperoxidase
General function:
Involved in peroxidase activity
Specific function:
May contribute to airway host defense against infection.
Gene Name:
LPO
Uniprot ID:
P22079
Molecular weight:
70983.6
Enzyme Details
7. Phenylalanine-4-hydroxylase
General function:
Involved in amino acid binding
Specific function:
Not Available
Gene Name:
PAH
Uniprot ID:
P00439
Molecular weight:
51861.565
Reactions
Phenylalanine + Tetrahydrobiopterin + Oxygen → L-Tyrosine + 4a-Hydroxytetrahydrobiopterindetails
Tetrahydrobiopterin + Phenylalanine + Oxygen → 4a-Carbinolamine tetrahydrobiopterin + L-Tyrosine + Waterdetails
References
  1. Thorolfsson M, Ibarra-Molero B, Fojan P, Petersen SB, Sanchez-Ruiz JM, Martinez A: L-phenylalanine binding and domain organization in human phenylalanine hydroxylase: a differential scanning calorimetry study. Biochemistry. 2002 Jun 18;41(24):7573-85. [PubMed:12056888 ]
  2. Pueschel SM, Boylan J, Ellenbogen R: Studies on experimentally induced hyperphenylalaninemia. J Ment Defic Res. 1988 Aug;32 ( Pt 4):309-19. [PubMed:2975336 ]
  3. Nagasaki Y, Matsubara Y, Takano H, Fujii K, Senoo M, Akanuma J, Takahashi K, Kure S, Hara M, Kanegae Y, Saito I, Narisawa K: Reversal of hypopigmentation in phenylketonuria mice by adenovirus-mediated gene transfer. Pediatr Res. 1999 Apr;45(4 Pt 1):465-73. [PubMed:10203136 ]
  4. Fusetti F, Erlandsen H, Flatmark T, Stevens RC: Structure of tetrameric human phenylalanine hydroxylase and its implications for phenylketonuria. J Biol Chem. 1998 Jul 3;273(27):16962-7. [PubMed:9642259 ]
  5. Stokka AJ, Flatmark T: Substrate-induced conformational transition in human phenylalanine hydroxylase as studied by surface plasmon resonance analyses: the effect of terminal deletions, substrate analogues and phosphorylation. Biochem J. 2003 Feb 1;369(Pt 3):509-18. [PubMed:12379147 ]
Enzyme Details
8. Peroxiredoxin-6
General function:
Involved in antioxidant activity
Specific function:
Involved in redox regulation of the cell. Can reduce H(2)O(2) and short chain organic, fatty acid, and phospholipid hydroperoxides. May play a role in the regulation of phospholipid turnover as well as in protection against oxidative injury.
Gene Name:
PRDX6
Uniprot ID:
P30041
Molecular weight:
25034.715
Reactions
Phenylalanine + Oxygen → 2-Phenylacetamide + Carbon dioxidedetails
Enzyme Details
9. Myeloperoxidase
General function:
Involved in peroxidase activity
Specific function:
Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.
Gene Name:
MPO
Uniprot ID:
P05164
Molecular weight:
83867.71
Enzyme Details
10. Aspartate aminotransferase, cytoplasmic
General function:
Involved in transferase activity, transferring nitrogenous groups
Specific function:
Plays a key role in amino acid metabolism (By similarity).
Gene Name:
GOT1
Uniprot ID:
P17174
Molecular weight:
46247.14
Reactions
Phenylalanine + Oxoglutaric acid → Phenylpyruvic acid + Glutamic aciddetails

Transporters

Enzyme Details
1. Large neutral amino acids transporter small subunit 2
General function:
Involved in transport
Specific function:
Sodium-independent, high-affinity transport of small and large neutral amino acids such as alanine, serine, threonine, cysteine, phenylalanine, tyrosine, leucine, arginine and tryptophan, when associated with SLC3A2/4F2hc. Acts as an amino acid exchanger. Has higher affinity for L-phenylalanine than LAT1 but lower affinity for glutamine and serine. L-alanine is transported at physiological concentrations. Plays a role in basolateral (re)absorption of neutral amino acids. Involved in the uptake of methylmercury (MeHg) when administered as the L-cysteine or D,L-homocysteine complexes, and hence plays a role in metal ion homeostasis and toxicity. Involved in the cellular activity of small molecular weight nitrosothiols, via the stereoselective transport of L-nitrosocysteine (L-CNSO) across the transmembrane. Plays an essential role in the reabsorption of neutral amino acids from the epithelial cells to the bloodstream in the kidney
Gene Name:
SLC7A8
Uniprot ID:
Q9UHI5
Molecular weight:
58381.1
References
  1. Shennan DB, Calvert DT, Travers MT, Kudo Y, Boyd CA: A study of L-leucine, L-phenylalanine and L-alanine transport in the perfused rat mammary gland: possible involvement of LAT1 and LAT2. Biochim Biophys Acta. 2002 Aug 19;1564(1):133-9. [PubMed:12101005 ]
  2. Rossier G, Meier C, Bauch C, Summa V, Sordat B, Verrey F, Kuhn LC: LAT2, a new basolateral 4F2hc/CD98-associated amino acid transporter of kidney and intestine. J Biol Chem. 1999 Dec 3;274(49):34948-54. [PubMed:10574970 ]
  3. Babu E, Kanai Y, Chairoungdua A, Kim DK, Iribe Y, Tangtrongsup S, Jutabha P, Li Y, Ahmed N, Sakamoto S, Anzai N, Nagamori S, Endou H: Identification of a novel system L amino acid transporter structurally distinct from heterodimeric amino acid transporters. J Biol Chem. 2003 Oct 31;278(44):43838-45. Epub 2003 Aug 20. [PubMed:12930836 ]
  4. Satoh S, Kimura T, Toda M, Maekawa M, Ono S, Narita H, Miyazaki H, Murayama T, Nomura Y: Involvement of L-type-like amino acid transporters in S-nitrosocysteine-stimulated noradrenaline release in the rat hippocampus. J Neurochem. 1997 Nov;69(5):2197-205. [PubMed:9349567 ]
  5. Nemoto T, Shimma N, Horie S, Saito T, Okuma Y, Nomura Y, Murayama T: Involvement of the system L amino acid transporter on uptake of S-nitroso-L-cysteine, an endogenous S-nitrosothiol, in PC12 cells. Eur J Pharmacol. 2003 Jan 1;458(1-2):17-24. [PubMed:12498902 ]
Enzyme Details
2. Monocarboxylate transporter 10
General function:
Involved in transmembrane transport
Specific function:
Sodium-independent transporter that mediates the update of aromatic acid. Can function as a net efflux pathway for aromatic amino acids in the basosolateral epithelial cells
Gene Name:
SLC16A10
Uniprot ID:
Q8TF71
Molecular weight:
55492.1
References
  1. Kim DK, Kanai Y, Matsuo H, Kim JY, Chairoungdua A, Kobayashi Y, Enomoto A, Cha SH, Goya T, Endou H: The human T-type amino acid transporter-1: characterization, gene organization, and chromosomal location. Genomics. 2002 Jan;79(1):95-103. [PubMed:11827462 ]
  2. Kim DK, Kanai Y, Chairoungdua A, Matsuo H, Cha SH, Endou H: Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters. J Biol Chem. 2001 May 18;276(20):17221-8. Epub 2001 Feb 20. [PubMed:11278508 ]

Only showing the first 10 proteins. There are 19 proteins in total.

Show all enzymes and transporters