CHEBI:85137 - (9E)-12-(phosphonooxy)octadecenoate(3−)

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ChEBI Name (9E)-12-(phosphonooxy)octadecenoate(3−) ChEBI ID CHEBI:85137 ChEBI ASCII Name (9E)-12-(phosphonooxy)octadecenoate(3-) Definition An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 12-phosphonooxy-(9E)-octadecenoic acid; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H32O6P Net Charge -3 Average Mass 375.41850 Monoisotopic Mass 375.19530 InChI InChI=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+ InChIKey UJCSYVRPPFDKQR-FMIVXFBMSA-K SMILES CCCCCCC(C\C=C\CCCCCCCC([O-])=O)OP([O-])([O-])=O ChEBI Ontology Outgoing (9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137) is a monocarboxylic acid anion (CHEBI:35757) (9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137) is a organophosphate oxoanion (CHEBI:58945) (9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137) is conjugate base of (9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136) Incoming (9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136) is conjugate acid of (9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137) IUPAC Name (9E)-12-(phosphonatooxy)octadec-9-enoate Synonym Source 12-phosphooxy-(9E)-octadecenoate UniProt Citation Type Source 12574510 PubMed citation SUBMITTER Last Modified 05 June 2018