beta-citrylglutamic acid (CHEBI:77065)

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ChEBI Name	β-citrylglutamic acid

ChEBI ID	CHEBI:77065

ChEBI ASCII Name	beta-citrylglutamic acid

Definition	An N-acyl-L-glutamic acid in which the acyl group is specified as β-citryl.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C11H15NO10

Net Charge

Average Mass

321.23750

Monoisotopic Mass

321.06960

InChI

InChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1

InChIKey

GAQNUGISBQJMKO-YFKPBYRVSA-N

SMILES

OC(=O)CC[C@H](NC(=O)C(O)(CC(O)=O)CC(O)=O)C(O)=O

Roles Classification
Chemical Role(s):	iron chelator Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	β-citrylglutamic acid (CHEBI:77065) has functional parent citric acid (CHEBI:30769) β-citrylglutamic acid (CHEBI:77065) has role human metabolite (CHEBI:77746) β-citrylglutamic acid (CHEBI:77065) has role iron chelator (CHEBI:38157) β-citrylglutamic acid (CHEBI:77065) is a N-acyl-L-glutamic acid (CHEBI:21650) β-citrylglutamic acid (CHEBI:77065) is a tetracarboxylic acid (CHEBI:35742)

IUPAC Name

N-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-glutamic acid

Registry Number	Type	Source
69281-09-0	CAS Registry Number	ChemIDplus

Last Modified

25 March 2015