Record Information
Version1.0
Creation date2011-09-21 00:14:58 UTC
Update date2019-11-26 03:21:03 UTC
Primary IDFDB022500
Secondary Accession Numbers
  • FDB030964
Chemical Information
FooDB NameL-Glutamic acid 5-phosphate
DescriptionL-Glutamic acid 5-phosphate is an intermediate in the urea cycle and metabolism of amino groups, a substrate of aldehyde dehydrogenase 18 family, member A1 [EC:2.7.2.11 1.2.1.41] (KEGG) In citrulline biosynthesis, is the substrate of the enzyme glutamate-5-semialdehyde dehydrogenase [EC 1.2.1.41] and in proline synthesis is the substrate of enzyme Glutamate 5-kinase [EC 2.7.2.11] (BioCyc) [HMDB]. L-Glutamic acid 5-phosphate is found in many foods, some of which are oval-leaf huckleberry, allspice, star fruit, and giant butterbur.
CAS Number13254-53-0
Structure
Thumb
Synonyms
SynonymSource
(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 phosphateHMDB
(2S)-2-amino-5-oxo-5-(Onooxy)pentanoateGenerator
(2S)-2-amino-5-oxo-5-(Onooxy)pentanoic acidChEBI
5-oxo-5-(Onooxy)-L-norvalineChEBI
L-gamma-Glutamyl-5-ateHMDB
L-gamma-glutamyl-5-Phmdb
L-gamma-glutamyl-5-phosphatehmdb
L-Glutam-5-yl ateChEBI
L-Glutam-5-yl ic acidGenerator
L-Glutamate 5-ateChEBI
L-Glutamate-5-ateHMDB
L-glutamate-5-phosphatehmdb
L-Glutamic acid 5-ateHMDB
L-Glutamic acid 5-ic acidGenerator
L-Glutamic acid 5-phosphatehmdb
L-Glutamic acid 5-phosphic acidhmdb
L-Glutamyl 5-ateChEBI
L-Glutamyl 5-ic acidGenerator
L-glutamyl 5-phosphatehmdb
L-glutamyl-5-Phmdb
Predicted 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 FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC5H10NO7P
IUPAC name(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid
InChI IdentifierInChI=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
Isomeric SMILESN[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O
Average Molecular Weight227.1092
Monoisotopic Molecular Weight227.019488191
Classification
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
Disposition

Route of exposure:

Biological location:

Source:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9100000000-1f025e73303e86357c09JSpectraViewer
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0fk9-9830000000-dfd0fdd7b5d37360baceJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01qa-4940000000-e0efc97dbf5f13f5b035JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9700000000-a154ebeef5e0f0f43204JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9100000000-b1be60027526c9bde31bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9040000000-9de98862247938227647JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-800f97e7da351e4f9a42JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-a620dcfe7b9e2908b2a5JSpectraViewer
ChemSpider ID167893
ChEMBL IDNot Available
KEGG Compound IDC03287
Pubchem Compound ID193475
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01228
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID41564
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Delta-1-pyrroline-5-carboxylate synthaseALDH18A1P54886
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference