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Showing metabocard for Phosphoserine (HMDB0000272)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:40 UTC
HMDB IDHMDB0000272
Secondary Accession Numbers
  • HMDB00272
Metabolite Identification
Common NamePhosphoserine
DescriptionPhosphoserine is the phosphoric acid ester of the amino acid serine. It is found in essentially all living organisms ranging from microbes to plants to mammals. Phosphoserine is a component of many proteins as the result of posttranslational modifications to the native protein’s serine residue(s). The phosphorylation of the hydroxyl functional group in serine to produce phosphoserine is catalyzed by various types of kinases. Serine is one of three amino acid residues that are commonly phosphorylated by kinases during cell signalling in eukaryotes. Free phosphoserine is found in many biofluids and likely arises from the proteolysis of proteins containing phosphoserine residues (PMID: 7693088 ).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000272 (Phosphoserine)


  Mrv1652309032023592D          

 11 10  0  0  1  0            999 V2000
    4.6184    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
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3D MOL for HMDB0000272 (Phosphoserine)

HMDB0000272
     RDKit          3D
Phosphoserine
 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.6079   -0.7593   -0.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320   -0.4959    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1563    0.2782    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460   -0.5377   -0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    0.1877   -0.5892 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9514    1.0253    0.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092   -1.0179   -0.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    1.1030   -1.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524    0.1811    1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567    0.5067    2.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757    0.4736    0.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137   -1.4090   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105    0.1569   -1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -1.4996    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    1.1884   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    0.6016    1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784   -1.8513   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    2.0509   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311   -0.1826    0.5843 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
  5  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  1
  3 15  1  0
  3 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
M  END
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3D SDF for HMDB0000272 (Phosphoserine)


  Mrv1652309032023592D          

 11 10  0  0  1  0            999 V2000
    4.6184    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000272

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

> <INCHI_KEY>
BZQFBWGGLXLEPQ-REOHCLBHSA-N

> <FORMULA>
C3H8NO6P

> <MOLECULAR_WEIGHT>
185.0725

> <EXACT_MASS>
185.008923505

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.968826440672615

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-3-(phosphonooxy)propanoic acid

> <ALOGPS_LOGP>
-2.32

> <JCHEM_LOGP>
-3.180275047030002

> <ALOGPS_LOGS>
-0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.066741968210883

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1985006020847058

> <JCHEM_PKA_STRONGEST_BASIC>
9.39423622748354

> <JCHEM_POLAR_SURFACE_AREA>
130.08

> <JCHEM_REFRACTIVITY>
32.9139

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phosphoserine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000272 (Phosphoserine)

HMDB0000272
     RDKit          3D
Phosphoserine
 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.6079   -0.7593   -0.8790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320   -0.4959    0.4617 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1563    0.2782    0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460   -0.5377   -0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5394    0.1877   -0.5892 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9514    1.0253    0.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7092   -1.0179   -0.7853 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    1.1030   -1.9908 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1524    0.1811    1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567    0.5067    2.4584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757    0.4736    0.6886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137   -1.4090   -0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8105    0.1569   -1.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9252   -1.4996    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0764    1.1884   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5617    0.6016    1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784   -1.8513   -0.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    2.0509   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311   -0.1826    0.5843 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
  5  8  1  0
  2  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  1
  3 15  1  0
  3 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
M  END
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PDB for HMDB0000272 (Phosphoserine)

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  N   UNK     0       8.621   4.977   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.954   3.437   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0       4.620   2.667   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0       3.286   1.897   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       5.390   1.334   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.850   4.001   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5                                                            
CONECT    9    2   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0000272 (Phosphoserine)

COMPND    HMDB0000272
HETATM    1  N1  UNL     1      -1.608  -0.759  -0.879  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.132  -0.496   0.462  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.156   0.278   0.345  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.046  -0.538  -0.373  1.00  0.00           O  
HETATM    5  P1  UNL     1       2.539   0.188  -0.589  1.00  0.00           P  
HETATM    6  O2  UNL     1       2.951   1.025   0.590  1.00  0.00           O  
HETATM    7  O3  UNL     1       3.709  -1.018  -0.785  1.00  0.00           O  
HETATM    8  O4  UNL     1       2.503   1.103  -1.991  1.00  0.00           O  
HETATM    9  C3  UNL     1      -2.152   0.181   1.264  1.00  0.00           C  
HETATM   10  O5  UNL     1      -1.957   0.507   2.458  1.00  0.00           O  
HETATM   11  O6  UNL     1      -3.376   0.474   0.689  1.00  0.00           O  
HETATM   12  H1  UNL     1      -2.414  -1.409  -0.873  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.811   0.157  -1.339  1.00  0.00           H  
HETATM   14  H3  UNL     1      -0.925  -1.500   0.929  1.00  0.00           H  
HETATM   15  H4  UNL     1      -0.076   1.188  -0.277  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.562   0.602   1.310  1.00  0.00           H  
HETATM   17  H6  UNL     1       3.478  -1.851  -0.316  1.00  0.00           H  
HETATM   18  H7  UNL     1       2.637   2.051  -1.749  1.00  0.00           H  
HETATM   19  H8  UNL     1      -4.131  -0.183   0.584  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3    9   14
CONECT    3    4   15   16
CONECT    4    5
CONECT    5    6    6    7    8
CONECT    7   17
CONECT    8   18
CONECT    9   10   10   11
CONECT   11   19
END
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SMILES for HMDB0000272 (Phosphoserine)

N[C@@H](COP(O)(O)=O)C(O)=O
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INCHI for HMDB0000272 (Phosphoserine)

InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(+)-L-Serine dihydrogen phosphate (ester)ChEBI
(2S)-2-Amino-3-(phosphonooxy)propanoic acidChEBI
(S)-2-Amino-3-hydroxypropanoic acid 3-phosphateChEBI
3-PhosphoserineChEBI
DexfosfoserineChEBI
L-O-PhosphoserineChEBI
O-PhosphoserineChEBI
3-Phospho-L-serineKegg
(+)-L-Serine dihydrogen phosphoric acid (ester)Generator
(2S)-2-Amino-3-(phosphonooxy)propanoateGenerator
(S)-2-Amino-3-hydroxypropanoate 3-phosphateGenerator
(S)-2-Amino-3-hydroxypropanoic acid 3-phosphoric acidGenerator
3-O-PhosphoserineHMDB
FosforinaHMDB
L-3-PhosphoserineHMDB
L-O-Serine phosphateHMDB
L-PhosphoserineHMDB
L-Serine dihydrogen phosphate (ester)HMDB
L-Serine phosphateHMDB
L-SerinephosphorateHMDB
L-Serinephosphoric acidHMDB
L-Seryl phosphateHMDB
PlasmenylserineHMDB
Chemical FormulaC3H8NO6P
Average Molecular Weight185.0725
Monoisotopic Molecular Weight185.008923505
IUPAC Name(2S)-2-amino-3-(phosphonooxy)propanoic acid
Traditional Namephosphoserine
CAS Registry Number407-41-0
SMILES
N[C@@H](COP(O)(O)=O)C(O)=O
InChI Identifier
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChI KeyBZQFBWGGLXLEPQ-REOHCLBHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Phosphoethanolamine
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Amine
  • Primary aliphatic amine
  • Carbonyl group
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point170 - 171 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility71 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available128.1http://allccs.zhulab.cn/database/detail?ID=AllCCS00002079
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.9 g/LALOGPS
logP-2.3ALOGPS
logP-3.2ChemAxon
logS-0.97ALOGPS
pKa (Strongest Acidic)1.2ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area130.08 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity32.91 m³·mol⁻¹ChemAxon
Polarizability13.97 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]+141.12531661259
DarkChem[M-H]-134.79631661259
AllCCS[M+H]+140.55632859911
AllCCS[M-H]-130.5932859911
DeepCCS[M+H]+127.47830932474
DeepCCS[M-H]-124.39330932474
DeepCCS[M-2H]-161.47130932474
DeepCCS[M+Na]+136.86930932474
AllCCS[M+H]+140.632859911
AllCCS[M+H-H2O]+136.832859911
AllCCS[M+NH4]+144.132859911
AllCCS[M+Na]+145.132859911
AllCCS[M-H]-130.632859911
AllCCS[M+Na-2H]-132.532859911
AllCCS[M+HCOO]-134.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhosphoserineN[C@@H](COP(O)(O)=O)C(O)=O2382.7Standard polar33892256
PhosphoserineN[C@@H](COP(O)(O)=O)C(O)=O1560.3Standard non polar33892256
PhosphoserineN[C@@H](COP(O)(O)=O)C(O)=O1956.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Phosphoserine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O1685.5Semi standard non polar33892256
Phosphoserine,1TMS,isomer #2C[Si](C)(C)OP(=O)(O)OC[C@H](N)C(=O)O1760.3Semi standard non polar33892256
Phosphoserine,1TMS,isomer #3C[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O1780.0Semi standard non polar33892256
Phosphoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C1735.8Semi standard non polar33892256
Phosphoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C1776.7Standard non polar33892256
Phosphoserine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C2702.4Standard polar33892256
Phosphoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C1755.1Semi standard non polar33892256
Phosphoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C1834.2Standard non polar33892256
Phosphoserine,2TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C2839.8Standard polar33892256
Phosphoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C1793.9Semi standard non polar33892256
Phosphoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C1753.4Standard non polar33892256
Phosphoserine,2TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C2765.5Standard polar33892256
Phosphoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O1825.4Semi standard non polar33892256
Phosphoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O1778.2Standard non polar33892256
Phosphoserine,2TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O2612.1Standard polar33892256
Phosphoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C1874.0Semi standard non polar33892256
Phosphoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C1917.8Standard non polar33892256
Phosphoserine,2TMS,isomer #5C[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C2972.2Standard polar33892256
Phosphoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1782.1Semi standard non polar33892256
Phosphoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1847.6Standard non polar33892256
Phosphoserine,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C2396.0Standard polar33892256
Phosphoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1834.7Semi standard non polar33892256
Phosphoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1856.9Standard non polar33892256
Phosphoserine,3TMS,isomer #2C[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2336.3Standard polar33892256
Phosphoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C1885.7Semi standard non polar33892256
Phosphoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C1979.7Standard non polar33892256
Phosphoserine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C)[Si](C)(C)C2633.8Standard polar33892256
Phosphoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1879.9Semi standard non polar33892256
Phosphoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1858.6Standard non polar33892256
Phosphoserine,3TMS,isomer #4C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2220.1Standard polar33892256
Phosphoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1950.8Semi standard non polar33892256
Phosphoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1918.5Standard non polar33892256
Phosphoserine,3TMS,isomer #5C[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2425.6Standard polar33892256
Phosphoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1886.7Semi standard non polar33892256
Phosphoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1920.7Standard non polar33892256
Phosphoserine,4TMS,isomer #1C[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2040.0Standard polar33892256
Phosphoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1950.8Semi standard non polar33892256
Phosphoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1984.8Standard non polar33892256
Phosphoserine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2236.3Standard polar33892256
Phosphoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1984.7Semi standard non polar33892256
Phosphoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C1985.9Standard non polar33892256
Phosphoserine,4TMS,isomer #3C[Si](C)(C)OP(=O)(OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2130.3Standard polar33892256
Phosphoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2000.7Semi standard non polar33892256
Phosphoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2026.5Standard non polar33892256
Phosphoserine,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2032.4Standard polar33892256
Phosphoserine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O1936.9Semi standard non polar33892256
Phosphoserine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H](N)C(=O)O2007.0Semi standard non polar33892256
Phosphoserine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O1992.9Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C2168.9Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C2219.4Standard non polar33892256
Phosphoserine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O)O[Si](C)(C)C(C)(C)C2827.7Standard polar33892256
Phosphoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2172.2Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2278.2Standard non polar33892256
Phosphoserine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O)C(=O)O[Si](C)(C)C(C)(C)C2921.9Standard polar33892256
Phosphoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2232.8Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2191.9Standard non polar33892256
Phosphoserine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C2832.4Standard polar33892256
Phosphoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2236.8Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2226.0Standard non polar33892256
Phosphoserine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O2733.7Standard polar33892256
Phosphoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2333.4Semi standard non polar33892256
Phosphoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2340.4Standard non polar33892256
Phosphoserine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](COP(=O)(O)O)C(=O)O)[Si](C)(C)C(C)(C)C2965.6Standard polar33892256
Phosphoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2400.9Semi standard non polar33892256
Phosphoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2399.1Standard non polar33892256
Phosphoserine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2601.5Standard polar33892256
Phosphoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2451.2Semi standard non polar33892256
Phosphoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2456.9Standard non polar33892256
Phosphoserine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2604.1Standard polar33892256
Phosphoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2543.6Semi standard non polar33892256
Phosphoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2586.2Standard non polar33892256
Phosphoserine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2807.5Standard polar33892256
Phosphoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2490.2Semi standard non polar33892256
Phosphoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2425.7Standard non polar33892256
Phosphoserine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2522.6Standard polar33892256
Phosphoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2599.1Semi standard non polar33892256
Phosphoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2521.3Standard non polar33892256
Phosphoserine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2654.4Standard polar33892256
Phosphoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](COP(=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)C2690.7Semi standard non polar33892256
Phosphoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](COP(=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)C2588.9Standard non polar33892256
Phosphoserine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](COP(=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)C2473.4Standard polar33892256
Phosphoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2809.6Semi standard non polar33892256
Phosphoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2719.9Standard non polar33892256
Phosphoserine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2579.5Standard polar33892256
Phosphoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[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)C2851.3Semi standard non polar33892256
Phosphoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[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)C2670.2Standard non polar33892256
Phosphoserine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OP(=O)(OC[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)C2503.5Standard polar33892256
Phosphoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=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)C3033.4Semi standard non polar33892256
Phosphoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=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)C2834.8Standard non polar33892256
Phosphoserine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](COP(=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)C2516.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)splash10-02u1-0930000000-c899f07d021f46de8c592014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)splash10-02am-0980000000-224ebb540cc8cfeee7bf2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0k92-0943000000-2c96e781366647a38c1b2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-MS (4 TMS)splash10-0rka-2965000000-6295c9d3aab0dbbdbe062014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Non-derivatized)splash10-02u1-0930000000-c899f07d021f46de8c592017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Non-derivatized)splash10-02am-0980000000-224ebb540cc8cfeee7bf2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Non-derivatized)splash10-0k92-0943000000-2c96e781366647a38c1b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-MS (Non-derivatized)splash10-0rka-2965000000-6295c9d3aab0dbbdbe062017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Non-derivatized)splash10-052b-0943000000-925dbf1f579400fe12752017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Phosphoserine GC-EI-TOF (Non-derivatized)splash10-03yl-0890000000-f853ba80cc56b6057d3e2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9200000000-579f933727173ebf11012016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9720000000-0c93ad0358d5840580e02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phosphoserine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-000i-9000000000-07c4d8f30a6ca83b8b552012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00dr-9000000000-c5a74679d970f7b6e2d52012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0006-9000000000-1d94e50890f1499da7f42012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-000i-3900000000-0424244742b82164682f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-000i-9100000000-f86c85cff0432259c7642012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-00kr-9000000000-997762f62b3a2e22b12b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-00di-9000000000-4732d51a493c7bf13c292012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-00kf-9000000000-5d40f9a41d75ac08b4c22012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-0002-9000000000-f653dafdf17fa74b83a52012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QTOF , negative-QTOFsplash10-0002-9000000000-f653dafdf17fa74b83a52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ , positive-QTOFsplash10-000i-3900000000-76c6900db1ecb22c9dc62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ , positive-QTOFsplash10-000i-9100000000-f86c85cff0432259c7642017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ , positive-QTOFsplash10-00kr-9000000000-25381bf668ede8881af02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ , positive-QTOFsplash10-00di-9000000000-63cde6935414b6893a5f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine LC-ESI-QQ , positive-QTOFsplash10-00kf-9000000000-5d40f9a41d75ac08b4c22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine 10V, Negative-QTOFsplash10-0002-9000000000-030fc19bab74121b95362021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine 20V, Negative-QTOFsplash10-004j-9000000000-78dc68824c37b96fd97f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine 40V, Negative-QTOFsplash10-004i-9000000000-8c715ebc5361358f572d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phosphoserine 10V, Negative-QTOFsplash10-000t-5900000000-2acd16447bafd738b8b22021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 10V, Positive-QTOFsplash10-000l-9800000000-672ba3fb65a9cac250442016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 20V, Positive-QTOFsplash10-0006-9300000000-e63c25df326283cc3b7f2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 40V, Positive-QTOFsplash10-0006-9000000000-dbc8b3072add030d17112016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 10V, Negative-QTOFsplash10-003r-9800000000-10234b7ff1b336489a5a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 20V, Negative-QTOFsplash10-004i-9100000000-8a4c753dfa69ac6720e02016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Phosphoserine 40V, Negative-QTOFsplash10-004i-9000000000-ebe13ec0e44d8c4f47712016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart 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 (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 (predicted from logP)
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue Locations
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified17.0 +/- 3.0 uMAdult (>18 years old)FemaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.2 +/- 1.7 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified5.0 +/- 0.9 uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified<0.11 umol/mmol creatinineAdolescent (13-18 years old)Not SpecifiedNormal details
UrineDetected and Quantified59.051 +/- 21.239 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified<0.11 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified<0.113 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified<0.11 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified4.605 (1.645-7.566) umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
UrineDetected and Quantified<0.11 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified2.0 (0.53-3.28) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified6.0 (2.71-10.4) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified<0.11 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified146.693 +/- 9.722 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
Associated Disorders and Diseases
Disease References
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 IDDB04522
Phenol Explorer Compound IDNot Available
FooDB IDFDB021926
KNApSAcK IDC00007287
Chemspider ID62074
KEGG Compound IDC01005
BioCyc ID3-P-SERINE
BiGG IDNot Available
Wikipedia Link3-phosphoserine
METLIN ID5270
PubChem Compound68841
PDB IDNot Available
ChEBI ID15811
Food Biomarker OntologyNot Available
VMH IDPSER_L
MarkerDB IDMDB00000131
Good Scents IDNot Available
References
Synthesis ReferenceBarruel, Elena Mery. Biosynthesis of phosphoserine in vitro. Anales Fac. Quim. y Farm. (1960), 12 228-33.
Material Safety Data Sheet (MSDS)Not Available
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. Molina JA, Jimenez-Jimenez FJ, Gomez P, Vargas C, Navarro JA, Orti-Pareja M, Gasalla T, Benito-Leon J, Bermejo F, Arenas J: Decreased cerebrospinal fluid levels of neutral and basic amino acids in patients with Parkinson's disease. J Neurol Sci. 1997 Sep 10;150(2):123-7. [PubMed:9268238 ]
  3. Kataoka H, Nakai K, Katagiri Y, Makita M: Analysis of free and bound O-phosphoamino acids in urine by gas chromatography with flame photometric detection. Biomed Chromatogr. 1993 Jul-Aug;7(4):184-8. [PubMed:7693088 ]
  4. Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Enzymes

Enzyme Details
1. Phosphoserine aminotransferase
General function:
Involved in metabolic process
Specific function:
Catalyzes the reversible conversion of 3-phosphohydroxypyruvate to phosphoserine and of 3-hydroxy-2-oxo-4-phosphonooxybutanoate to phosphohydroxythreonine (By similarity).
Gene Name:
PSAT1
Uniprot ID:
Q9Y617
Molecular weight:
35188.305
Reactions
Phosphoserine + Oxoglutaric acid → Phosphohydroxypyruvic acid + Glutamic aciddetails
Enzyme Details
2. Phosphoserine phosphatase
General function:
Involved in catalytic activity
Specific function:
Catalyzes the last step in the biosynthesis of serine from carbohydrates. The reaction mechanism proceeds via the formation of a phosphoryl-enzyme intermediates.
Gene Name:
PSPH
Uniprot ID:
P78330
Molecular weight:
25007.49
Reactions
Phosphoserine + Water → Serine + Phosphatedetails