CHEBI:90168 - β-citryl-Glu-Glu

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-citryl-Glu-Glu
ChEBI ID CHEBI:90168
ChEBI ASCII Name beta-citryl-Glu-Glu
Definition A dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a β-citryl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H22N2O13
Net Charge 0
Average Mass 450.352
Monoisotopic Mass 450.11219
InChI InChI=1S/C16H22N2O13/c19-9(20)3-1-7(13(27)17-8(14(28)29)2-4-10(21)22)18-15(30)16(31,5-11(23)24)6-12(25)26/h7-8,31H,1-6H2,(H,17,27)(H,18,30)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,28,29)/t7-,8-/m0/s1
InChIKey JVZWBVAMDACIET-YUMQZZPRSA-N
SMILES N([C@H](C(N[C@H](C(=O)O)CCC(=O)O)=O)CCC(=O)O)C(=O)C(CC(=O)O)(CC(O)=O)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-citryl-Glu-Glu (CHEBI:90168) has functional parent citric acid (CHEBI:30769)
β-citryl-Glu-Glu (CHEBI:90168) has functional parent Glu-Glu (CHEBI:5390)
β-citryl-Glu-Glu (CHEBI:90168) is a dipeptide (CHEBI:46761)
β-citryl-Glu-Glu (CHEBI:90168) is conjugate acid of β-citryl-L-glutamyl-L-glutamate (CHEBI:167458)
Incoming β-citryl-L-glutamyl-L-glutamate (CHEBI:167458) is conjugate base of β-citryl-Glu-Glu (CHEBI:90168)
IUPAC Name
L-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-α-glutamyl-L-glutamic acid
Synonyms Sources
β-citryl-L-Glu-L-Glu ChEBI
β-citryl-L-glutamyl-L-glutamic acid ChEBI
Last Modified
28 January 2016