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CHEBI:77065 - β-citrylglutamic acid

ChEBI IDCHEBI:77065
ChEBI Nameβ-citrylglutamic acid
Stars
ASCII Namebeta-citrylglutamic acid
DefinitionAn N-acyl-L-glutamic acid in which the acyl group is specified as β-citryl.
Last Modified25 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H15NO10
Net Charge0
Average Mass321.238
Monoisotopic Mass321.06960
SMILESO=C(O)CC[C@H](NC(=O)C(O)(CC(=O)O)CC(=O)O)C(=O)O
InChIInChI=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
InChIKeyGAQNUGISBQJMKO-YFKPBYRVSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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
Synonyms  Source
beta-Citrylglutamic acidChemIDplus
beta-Citryl-L-glutamic acidChemIDplus
β-citryl-L-glutamic acidChEBI
beta-CGHMDB
Manual XrefsDatabases
HMDB0013220HMDB
Registry NumbersSources
CAS:69281-09-0ChemIDplus
Citations