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CHEBI:167470 - domoate(2−)

ChEBI IDCHEBI:167470
ChEBI Namedomoate(2−)
Stars
ASCII Namedomoate(2-)
DefinitionA tricarboxylic acid anion that is the conjugate base of domoic acid, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
Last Modified25 February 2021
Submitternhn
DownloadsMolfile
FormulaC15H19NO6
Net Charge-2
Average Mass309.318
Monoisotopic Mass309.12233
SMILESC/C(=C/C=C/[C@@H](C)C(=O)[O-])[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-]
InChIInChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
InChIKeyVZFRNCSOCOPNDB-AOKDLOFSSA-L
ChEBI Ontology
Outgoing Relation(s)
domoate(2−) (CHEBI:167470) is a tricarboxylic acid anion (CHEBI:35753)
domoate(2−) (CHEBI:167470) is conjugate base of domoic acid (CHEBI:34727)
Incoming Relation(s)
domoic acid (CHEBI:34727) is conjugate acid of domoate(2−) (CHEBI:167470)
IUPAC Name 
(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxylatohepta-2,4-dien-2-yl]-3-(carboxylatomethyl)pyrrolidinium-2-carboxylate
UniProt Name  Source
domoateUniProt
Manual XrefsDatabases
CPD-18737MetaCyc
Citations