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CHEBI:85134 - 12-(phosphonooxy)octadecanoate(3−)

ChEBI IDCHEBI:85134
ChEBI Name12-(phosphonooxy)octadecanoate(3−)
Stars
ASCII Name12-(phosphonooxy)octadecanoate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of 12-(phosphonooxy)octadecanoic acid; major species at pH 7.3.
Last Modified5 June 2018
Submitternhn
DownloadsMolfile
FormulaC18H34O6P
Net Charge-3
Average Mass377.438
Monoisotopic Mass377.21095
SMILESCCCCCCC(CCCCCCCCCCC(=O)[O-])OP(=O)([O-])[O-]
InChIInChI=1S/C18H37O6P/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/h17H,2-16H2,1H3,(H,19,20)(H2,21,22,23)/p-3
InChIKeyQZULXZYUVCCXJM-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134) is a monocarboxylic acid anion (CHEBI:35757)
12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134) is a organophosphate oxoanion (CHEBI:58945)
12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134) is conjugate base of 12-(phosphonooxy)octadecanoic acid (CHEBI:85133)
Incoming Relation(s)
12-(phosphonooxy)octadecanoic acid (CHEBI:85133) is conjugate acid of 12-(phosphonooxy)octadecanoate(3−) (CHEBI:85134)
IUPAC Name 
12-(phosphonatooxy)octadecanoate
UniProt Name  Source
12-(phosphooxy)octadecanoateUniProt
Citations