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CHEBI:167458 - β-citryl-L-glutamyl-L-glutamate

ChEBI IDCHEBI:167458
ChEBI Nameβ-citryl-L-glutamyl-L-glutamate
Stars
ASCII Namebeta-citryl-L-glutamyl-L-glutamate
DefinitionThe conjugate base of β-citryl-L-glutamyl-L-glutamic acid obtained from deprotonation of the carboxy groups; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC16H17N2O13
Net Charge-5
Average Mass445.313
Monoisotopic Mass445.07581
SMILESO=C([O-])CC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)C(O)(CC(=O)[O-])CC(=O)[O-])C(=O)[O-]
InChIInChI=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)/p-5/t7-,8-/m0/s1
InChIKeyJVZWBVAMDACIET-YUMQZZPRSA-I
ChEBI Ontology
Outgoing Relation(s)
β-citryl-L-glutamyl-L-glutamate (CHEBI:167458) is a organic molecular entity (CHEBI:50860)
β-citryl-L-glutamyl-L-glutamate (CHEBI:167458) is conjugate base of β-citryl-Glu-Glu (CHEBI:90168)
Incoming Relation(s)
β-citryl-Glu-Glu (CHEBI:90168) is conjugate acid of β-citryl-L-glutamyl-L-glutamate (CHEBI:167458)
Synonym  Source
BCG2(5−)SUBMITTER
UniProt Name  Source
β-citryl-L-glutamyl-L-glutamineUniProt
Citations