Showing Compound 4-Hydroxy-L-glutamic acid (FDB022938)

Record Information

Version

1.0

Creation date

2011-09-21 00:22:01 UTC

Update date

2015-07-21 06:57:26 UTC

Primary ID

FDB022938

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

4-Hydroxy-L-glutamic acid

Description

4-Hydroxy-L-glutamic acid is an intermediate in the metabolism of gamma-hydroxyglutamic acid. Specifically 4-Hydroxy-L-glutamic acid combines with 2-oxoglutarate to produce 4-hydroxy-2-oxoglutarate and glutamate. The reaction can be described as: 4-Hydroxy-L-glutamate + 2-Oxoglutarate <=> 4-Hydroxy-2-oxoglutarate + L-Glutamate. This reaction is catalyzed by 4-hydroxyglutamate aminotransferase (PMID 13948827). [HMDB]

CAS Number

2485-33-8

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
(2S)-2-Amino-4-hydroxypentanedioate	ChEBI
(2S)-2-amino-4-hydroxypentanedioate	hmdb
(2S)-2-Amino-4-hydroxypentanedioic acid	Generator
(2S)-2-amino-4-hydroxypentanedioic acid	hmdb
4-Hydroxy-L-glutamate	Generator
4-hydroxy-L-glutamate	hmdb
4-Hydroxy-L-glutamic acid	hmdb
erythro-4-Hydroxyglutamate	HMDB
erythro-4-hydroxyglutamate	hmdb
L-erythro-4-Hydroxy-glutamate	HMDB

Showing 1 to 10 of 12 entries

Predicted Properties

Property	Value	Source
Water Solubility	565 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-4.2	ChemAxon
logS	0.46	ALOGPS
pKa (Strongest Acidic)	1.68	ChemAxon
pKa (Strongest Basic)	9.16	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	126.51 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	54.41 m³·mol⁻¹	ChemAxon
Polarizability	13.35 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

C5H7NO5

IUPAC name

(2S)-2-amino-4-hydroxypentanedioate

InChI Identifier

InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-2/t2-,3?/m0/s1

InChI Key

HBDWQSHEVMSFGY-SCQFTWEKSA-L

Isomeric SMILES

N[C@@H](CC(O)C([O-])=O)C([O-])=O

Average Molecular Weight

161.1128

Monoisotopic Molecular Weight

161.032422339

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
Amino fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty acid
1,3-aminoalcohol
Amino acid
Secondary alcohol
Carboxylic acid
Organic nitrogen compound
Alcohol
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dicarboxylic acid dianion (CHEBI:16338 )
L-alpha-amino acid anion (CHEBI:16338 )

Ontology

No ontology term

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

Not Available

External Links

ChemSpider ID

4573749

ChEMBL ID

Not Available

KEGG Compound ID

C03079

Pubchem Compound ID

5460078

Pubchem Substance ID

Not Available

ChEBI ID

16338

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB02273

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

1447439

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

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 4-Hydroxy-L-glutamic acid (FDB022938)

Structure for FDB022938 (4-Hydroxy-L-glutamic acid)