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CHEBI:85141 - (9Z)-12-(phosphonooxy)octadecenoate(3−)

ChEBI IDCHEBI:85141
ChEBI Name(9Z)-12-(phosphonooxy)octadecenoate(3−)
Stars
ASCII Name(9Z)-12-(phosphonooxy)octadecenoate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9Z)-12-(phosphonooxy)octadecenoic acid; major species at pH 7.3.
Last Modified5 June 2018
Submitternhn
DownloadsMolfile
FormulaC18H32O6P
Net Charge-3
Average Mass375.422
Monoisotopic Mass375.19530
SMILESCCCCCCC(C/C=C\CCCCCCCC(=O)[O-])OP(=O)([O-])[O-]
InChIInChI=1S/C18H35O6P/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H2,21,22,23)/p-3/b12-9-
InChIKeyUJCSYVRPPFDKQR-XFXZXTDPSA-K
ChEBI Ontology
Outgoing Relation(s)
(9Z)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85141) is a organophosphate oxoanion (CHEBI:58945)
(9Z)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85141) is conjugate base of (9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140)
Incoming Relation(s)
(9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140) is conjugate acid of (9Z)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85141)
IUPAC Name 
(9Z)-12-(phosphonatooxy)octadec-9-enoate
UniProt Name  Source
12-phosphooxy-(9Z)-octadecenoateUniProt
Citations