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CHEBI:178020 - bongkrekate(3−)

ChEBI IDCHEBI:178020
ChEBI Namebongkrekate(3−)
Stars
ASCII Namebongkrekate(3-)
DefinitionA tricarboxylic acid anion resulting from the deprotonation of the three carboxy groups of bongkrekic acid; major species at pH 7.3.
Last Modified7 September 2021
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC28H35O7
Net Charge-3
Average Mass483.581
Monoisotopic Mass483.23992
SMILESCO[C@H](C/C=C\C=C\CC/C=C/C[C@H](C)/C=C/C(=C\C(=O)[O-])CC(=O)[O-])/C(C)=C\C=C(/C)C(=O)[O-]
InChIInChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/p-3/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1
InChIKeySHCXABJSXUACKU-WUTQZGRKSA-K
ChEBI Ontology
Outgoing Relation(s)
bongkrekate(3−) (CHEBI:178020) is a tricarboxylic acid anion (CHEBI:35753)
bongkrekate(3−) (CHEBI:178020) is conjugate base of bongkrekic acid (CHEBI:77742)
Incoming Relation(s)
bongkrekic acid (CHEBI:77742) is conjugate acid of bongkrekate(3−) (CHEBI:178020)
IUPAC Name 
(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxylatomethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioate
Synonyms  Source
bongkrekic acid(3−)SUBMITTER
bongkrekic acid trianionChEBI
UniProt Name  Source
bongkrekateUniProt
Manual XrefsDatabases
CPD-21066MetaCyc