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Showing metabocard for L-Glutamic acid 5-phosphate (HMDB0001228)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:20:03 UTC
HMDB IDHMDB0001228
Secondary Accession Numbers
  • HMDB01228
Metabolite Identification
Common NameL-Glutamic acid 5-phosphate
DescriptionL-Glutamic acid 5-phosphate, also known as L-glutam-5-yl phosphate or L-glutamyl 5-phosphoric acid, belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Glutamic acid 5-phosphate exists in all living species, ranging from bacteria to plants to humans. L-Glutamic acid 5-phosphate has been detected, but not quantified in, several different foods, such as fireweeds (Chamerion angustifolium), kumquats (Fortunella), blackcurrants (Ribes nigrum), burdocks (Arctium lappa), and cucurbita (Cucurbita). This could make L-glutamic acid 5-phosphate a potential biomarker for the consumption of these foods. L-Glutamic acid 5-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on L-Glutamic acid 5-phosphate.
Structure
Data?1592932209
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001228 (L-Glutamic acid 5-phosphate)


  Mrv1652306232019092D          

 14 13  0  0  0  0            999 V2000
 9996.1320 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8465 9996.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4172 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1320 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5619 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7028 9997.0702    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9996.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.1144 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9841 9996.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2892 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9995.8331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7038 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
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3D MOL for HMDB0001228 (L-Glutamic acid 5-phosphate)

HMDB0001228
     RDKit          3D
L-Glutamic acid 5-phosphate
 24 23  0  0  0  0  0  0  0  0999 V2000
   -2.4428    1.2076    0.9500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3791    0.4940   -0.2912 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0663   -0.2497   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335    0.7969   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.1932   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -0.1692   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1781   -0.0076    0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470   -0.7249    0.6846 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9030   -1.8014    1.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    0.5115    0.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -1.2939   -0.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.3926   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4198   -0.4249    0.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -1.1810   -1.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1551    0.8091    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    2.2272    0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    1.2482   -1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -0.8814   -1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -0.8892    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    1.3582    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0916    1.5379   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    1.2620    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8732   -1.4851   -1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4026   -2.1447   -1.5591 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  6
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
 10 22  1  0
 11 23  1  0
 14 24  1  0
M  END
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3D SDF for HMDB0001228 (L-Glutamic acid 5-phosphate)


  Mrv1652306232019092D          

 14 13  0  0  0  0            999 V2000
 9996.1320 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8465 9996.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4172 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1320 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5619 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7028 9997.0702    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9996.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.1144 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9841 9996.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2892 9997.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2751 9995.8331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7038 9996.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9905 9997.8948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001228

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

> <INCHI_KEY>
PJRXVIJAERNUIP-VKHMYHEASA-N

> <FORMULA>
C5H10NO7P

> <MOLECULAR_WEIGHT>
227.1092

> <EXACT_MASS>
227.019488191

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
18.089346648683048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid

> <ALOGPS_LOGP>
-1.96

> <JCHEM_LOGP>
-3.0424739962552194

> <ALOGPS_LOGS>
-1.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.9768584566142886

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1185265364746844

> <JCHEM_PKA_STRONGEST_BASIC>
9.511214443237481

> <JCHEM_POLAR_SURFACE_AREA>
147.15

> <JCHEM_REFRACTIVITY>
42.4474

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-gamma-glutamyl phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0001228 (L-Glutamic acid 5-phosphate)

HMDB0001228
     RDKit          3D
L-Glutamic acid 5-phosphate
 24 23  0  0  0  0  0  0  0  0999 V2000
   -2.4428    1.2076    0.9500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3791    0.4940   -0.2912 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0663   -0.2497   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0335    0.7969   -0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.1932   -0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8427   -0.1692   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1781   -0.0076    0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7470   -0.7249    0.6846 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9030   -1.8014    1.7033 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    0.5115    0.9151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -1.2939   -0.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5379   -0.3926   -0.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4198   -0.4249    0.3862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -1.1810   -1.6229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1551    0.8091    1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6618    2.2272    0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    1.2482   -1.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9585   -0.8814   -1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -0.8892    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    1.3582    0.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0916    1.5379   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    1.2620    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8732   -1.4851   -1.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4026   -2.1447   -1.5591 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  6
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
 10 22  1  0
 11 23  1  0
 14 24  1  0
M  END
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PDB for HMDB0001228 (L-Glutamic acid 5-phosphate)

HEADER    PROTEIN                                 23-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JUN-20         0                                  
HETATM    1  C   UNK     0    8659.4468661.198   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8660.7808660.429   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8658.1128660.429   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8659.4468662.737   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    8662.1158661.198   0.000  0.00  0.00           C+0
HETATM    6  P   UNK     0    8656.7788661.198   0.000  0.00  0.00           P+0
HETATM    7  C   UNK     0    8663.4478660.429   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    8657.5478662.533   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8655.4378660.425   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8656.0068662.533   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8664.7828661.198   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8663.4478658.888   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0    8666.1148660.429   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8664.7828662.737   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1                                                            
CONECT    5    2    7                                                       
CONECT    6    3    8    9   10                                             
CONECT    7    5   11   12                                                  
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    7   13   14                                                  
CONECT   12    7                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0001228 (L-Glutamic acid 5-phosphate)

COMPND    HMDB0001228
HETATM    1  N1  UNL     1      -2.443   1.208   0.950  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.379   0.494  -0.291  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.066  -0.250  -0.345  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.033   0.797  -0.250  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.377   0.193  -0.292  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.843  -0.169  -1.405  1.00  0.00           O  
HETATM    7  O2  UNL     1       2.178  -0.008   0.822  1.00  0.00           O  
HETATM    8  P1  UNL     1       3.747  -0.725   0.685  1.00  0.00           P  
HETATM    9  O3  UNL     1       3.903  -1.801   1.703  1.00  0.00           O  
HETATM   10  O4  UNL     1       4.880   0.511   0.915  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.916  -1.294  -0.897  1.00  0.00           O  
HETATM   12  C5  UNL     1      -3.538  -0.393  -0.507  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.420  -0.425   0.386  1.00  0.00           O  
HETATM   14  O7  UNL     1      -3.707  -1.181  -1.623  1.00  0.00           O  
HETATM   15  H1  UNL     1      -3.155   0.809   1.613  1.00  0.00           H  
HETATM   16  H2  UNL     1      -2.662   2.227   0.805  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.350   1.248  -1.117  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.959  -0.881  -1.231  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.003  -0.889   0.579  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.156   1.358   0.692  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.092   1.538  -1.074  1.00  0.00           H  
HETATM   22  H8  UNL     1       4.580   1.262   0.312  1.00  0.00           H  
HETATM   23  H9  UNL     1       4.873  -1.485  -1.093  1.00  0.00           H  
HETATM   24  H10 UNL     1      -3.403  -2.145  -1.559  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   12   17
CONECT    3    4   18   19
CONECT    4    5   20   21
CONECT    5    6    6    7
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   22
CONECT   11   23
CONECT   12   13   13   14
CONECT   14   24
END
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SMILES for HMDB0001228 (L-Glutamic acid 5-phosphate)

N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O
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INCHI for HMDB0001228 (L-Glutamic acid 5-phosphate)

InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoic acidChEBI
5-oxo-5-(Phosphonooxy)-L-norvalineChEBI
L-Glutam-5-yl phosphateChEBI
L-Glutamate 5-phosphateChEBI
L-Glutamyl 5-phosphateChEBI
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoateGenerator
L-Glutam-5-yl phosphoric acidGenerator
L-Glutamic acid 5-phosphoric acidGenerator
L-Glutamyl 5-phosphoric acidGenerator
L-gamma-Glutamyl-5-PHMDB
L-gamma-Glutamyl-5-phosphateHMDB
L-Glutamate-5-phosphateHMDB
L-Glutamyl-5-PHMDB
gamma-Glutamyl phosphateMeSH, HMDB
γ-Glutamyl phosphateHMDB
Chemical FormulaC5H10NO7P
Average Molecular Weight227.1092
Monoisotopic Molecular Weight227.019488191
IUPAC Name(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid
Traditional NameL-gamma-glutamyl phosphate
CAS Registry Number13254-53-0
SMILES
N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
InChI KeyPJRXVIJAERNUIP-VKHMYHEASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid 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 ParentGlutamic acid and derivatives
Alternative Parents
Substituents
  • Glutamic acid or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Acyl monophosphate
  • Acyl phosphate
  • Dicarboxylic acid or derivatives
  • Organic phosphoric acid derivative
  • Fatty acid
  • Carboxylic acid salt
  • Amino acid
  • Carboxylic acid
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Organic oxide
  • Organic nitrogen compound
  • Organopnictogen compound
  • Carbonyl group
  • Amine
  • Organic oxygen compound
  • Organic salt
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility10.9 g/LALOGPS
logP-2ALOGPS
logP-3ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)1.12ChemAxon
pKa (Strongest Basic)9.51ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area147.15 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity42.45 m³·mol⁻¹ChemAxon
Polarizability18.09 ųChemAxon
Number of Rings0ChemAxon
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]+151.14831661259
DarkChem[M-H]-149.45831661259
AllCCS[M+H]+148.1132859911
AllCCS[M-H]-140.34532859911
DeepCCS[M+H]+135.05830932474
DeepCCS[M-H]-132.66230932474
DeepCCS[M-2H]-167.03330932474
DeepCCS[M+Na]+141.49330932474
AllCCS[M+H]+148.132859911
AllCCS[M+H-H2O]+144.632859911
AllCCS[M+NH4]+151.432859911
AllCCS[M+Na]+152.332859911
AllCCS[M-H]-140.332859911
AllCCS[M+Na-2H]-141.332859911
AllCCS[M+HCOO]-142.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-Glutamic acid 5-phosphateN[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O2772.4Standard polar33892256
L-Glutamic acid 5-phosphateN[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O1571.3Standard non polar33892256
L-Glutamic acid 5-phosphateN[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O2185.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Glutamic acid 5-phosphate,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O1925.8Semi standard non polar33892256
L-Glutamic acid 5-phosphate,1TMS,isomer #2C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@H](N)C(=O)O2010.5Semi standard non polar33892256
L-Glutamic acid 5-phosphate,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O2035.8Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C1945.3Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C2005.4Standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C3195.2Standard polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C1986.4Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C2053.6Standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C3180.1Standard polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C2012.0Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C2002.9Standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C3263.9Standard polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O2066.3Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O2037.8Standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O2998.8Standard polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C2158.6Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C2117.9Standard non polar33892256
L-Glutamic acid 5-phosphate,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C3320.8Standard polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1985.3Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2075.0Standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2877.2Standard polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2034.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2090.6Standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2676.7Standard polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2153.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2152.4Standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2955.0Standard polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2093.1Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2117.7Standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2595.4Standard polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2190.3Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2157.8Standard non polar33892256
L-Glutamic acid 5-phosphate,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2793.0Standard polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2071.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2160.5Standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2374.2Standard polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2182.9Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2186.6Standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2551.8Standard polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2208.7Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2235.2Standard non polar33892256
L-Glutamic acid 5-phosphate,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2477.0Standard polar33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2217.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2241.1Standard non polar33892256
L-Glutamic acid 5-phosphate,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2346.5Standard polar33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O2193.5Semi standard non polar33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@H](N)C(=O)O2259.1Semi standard non polar33892256
L-Glutamic acid 5-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O2282.7Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C2392.6Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C2420.4Standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C3292.9Standard polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2464.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2436.0Standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C3243.1Standard polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2439.7Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2431.4Standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C3305.9Standard polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2505.9Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2449.9Standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O3102.0Standard polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2604.6Semi standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2493.3Standard non polar33892256
L-Glutamic acid 5-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)OP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C3306.3Standard polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2596.4Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2610.5Standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3031.0Standard polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2676.4Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2639.4Standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2922.1Standard polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2819.8Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2718.3Standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3097.8Standard polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2720.5Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2651.2Standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2872.8Standard polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2843.7Semi standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2719.4Standard non polar33892256
L-Glutamic acid 5-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2989.5Standard polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2872.1Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2790.2Standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2781.2Standard polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3030.3Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2873.0Standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2865.6Standard polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3067.0Semi standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2865.9Standard non polar33892256
L-Glutamic acid 5-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2822.1Standard polar33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3227.2Semi standard non polar33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3005.6Standard non polar33892256
L-Glutamic acid 5-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2801.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9100000000-1f025e73303e86357c092016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (1 TMS) - 70eV, Positivesplash10-0fk9-9830000000-dfd0fdd7b5d37360bace2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Glutamic acid 5-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Positive-QTOFsplash10-01qa-4940000000-e0efc97dbf5f13f5b0352015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Positive-QTOFsplash10-001i-9700000000-a154ebeef5e0f0f432042015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Positive-QTOFsplash10-0a4i-9100000000-b1be60027526c9bde31b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Negative-QTOFsplash10-004i-9040000000-9de988622479382276472015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-800f97e7da351e4f9a422015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-a620dcfe7b9e2908b2a52015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Negative-QTOFsplash10-004i-9010000000-fd2b2036f447f482b04a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 10V, Positive-QTOFsplash10-001i-3970000000-225c75caa9353c31ca4c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 20V, Positive-QTOFsplash10-001i-9100000000-5acb01b87dc2c83bc22f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Glutamic acid 5-phosphate 40V, Positive-QTOFsplash10-0a59-9000000000-a92b4200472a0a756a422021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Mitochondria
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022500
KNApSAcK IDNot Available
Chemspider ID167893
KEGG Compound IDC03287
BioCyc IDL-GLUTAMATE-5-P
BiGG ID41564
Wikipedia LinkNot Available
METLIN ID6093
PubChem Compound193475
PDB IDNot Available
ChEBI ID17798
Food Biomarker OntologyNot Available
VMH IDGLU5P
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceJournal of Heterocyclic Chemistry (1987), 24(1), 279-82.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Delta-1-pyrroline-5-carboxylate synthase
General function:
Involved in oxidoreductase activity
Specific function:
Bifunctional enzyme that converts glutamate to glutamate 5-semialdehyde, an intermediate in the biosynthesis of proline, ornithine and arginine.
Gene Name:
ALDH18A1
Uniprot ID:
P54886
Molecular weight:
87088.29
Reactions
Adenosine triphosphate + L-Glutamic acid → ADP + L-Glutamic acid 5-phosphatedetails
L-Glutamic gamma-semialdehyde + Phosphate + NADP → L-Glutamic acid 5-phosphate + NADPHdetails
Adenosine triphosphate + L-Glutamic acid → ADP + L-Glutamic acid 5-phosphatedetails
L-Glutamic gamma-semialdehyde + Phosphate + NADP → L-Glutamic acid 5-phosphate + NADPH + Hydrogen Iondetails