Showing Compound L-Glutamic acid 5-phosphate (FDB022500)

Record Information

Version

1.0

Creation date

2011-09-21 00:14:58 UTC

Update date

2019-11-26 03:21:03 UTC

Primary ID

FDB022500

Secondary Accession Numbers

FDB030964

Chemical Information

FooDB Name

L-Glutamic acid 5-phosphate

Description

L-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 Number

13254-53-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
(2S)-2-amino-5-oxo-5-(Onooxy)pentanoate	Generator
(2S)-2-amino-5-oxo-5-(Onooxy)pentanoic acid	ChEBI
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoate	Generator
(2S)-2-Amino-5-oxo-5-(phosphonooxy)pentanoic acid	ChEBI
5-oxo-5-(Onooxy)-L-norvaline	ChEBI
5-oxo-5-(Phosphonooxy)-L-norvaline	ChEBI
gamma-Glutamyl phosphate	MeSH, HMDB
L-gamma-Glutamyl-5-ate	HMDB
L-gamma-Glutamyl-5-P	HMDB
L-gamma-glutamyl-5-P	hmdb

Showing 1 to 10 of 34 entries

Predicted Properties

Property	Value	Source
Water Solubility	10.9 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	1.12	ChemAxon
pKa (Strongest Basic)	9.51	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	147.15 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	42.45 m³·mol⁻¹	ChemAxon
Polarizability	18.09 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C5H10NO7P

IUPAC name

(2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid

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

Isomeric SMILES

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

Average Molecular Weight

227.1092

Monoisotopic Molecular Weight

227.019488191

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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamic 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 Framework

Aliphatic acyclic compounds

External Descriptors

gamma-glutamyl phosphate (CHEBI:17798 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Animal

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	L-Glutamic acid 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0002-9100000000-1f025e73303e86357c09	Spectrum
Predicted GC-MS	L-Glutamic acid 5-phosphate, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0fk9-9830000000-dfd0fdd7b5d37360bace	Spectrum
Predicted GC-MS	L-Glutamic acid 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	L-Glutamic acid 5-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01qa-4940000000-e0efc97dbf5f13f5b035	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9700000000-a154ebeef5e0f0f43204	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9100000000-b1be60027526c9bde31b	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9040000000-9de98862247938227647	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-800f97e7da351e4f9a42	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a620dcfe7b9e2908b2a5	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9010000000-fd2b2036f447f482b04a	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-3970000000-225c75caa9353c31ca4c	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9100000000-5acb01b87dc2c83bc22f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a59-9000000000-a92b4200472a0a756a42	2021-09-22	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

167893

ChEMBL ID

Not Available

KEGG Compound ID

C03287

Pubchem Compound ID

193475

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB01228

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

41564

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Not Available

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference

Showing Compound L-Glutamic acid 5-phosphate (FDB022500)

Structure for FDB022500 (L-Glutamic acid 5-phosphate)