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CHEBI:85140 - (9Z)-12-(phosphonooxy)octadecenoic acid

ChEBI IDCHEBI:85140
ChEBI Name(9Z)-12-(phosphonooxy)octadecenoic acid
Stars
ASCII Name(9Z)-12-(phosphonooxy)octadecenoic acid
DefinitionA carboxyalkyl phosphate that is (9Z)-octadecenoic (oleic) acid carrying a phosphonooxy substituent at position 12.
Last Modified3 May 2015
Submitternhn
DownloadsMolfile
FormulaC18H35O6P
Net Charge0
Average Mass378.446
Monoisotopic Mass378.21713
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)/b12-9-
InChIKeyUJCSYVRPPFDKQR-XFXZXTDPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140) has functional parent oleic acid (CHEBI:16196)
(9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140) is a carboxyalkyl phosphate (CHEBI:36952)
(9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140) is conjugate acid of (9Z)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85141)
Incoming Relation(s)
(9Z)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85141) is conjugate base of (9Z)-12-(phosphonooxy)octadecenoic acid (CHEBI:85140)
IUPAC Name 
(9Z)-12-(phosphonatooxy)octadec-9-enoic acid
Synonym  Source
12-(phosphonooxy)oleic acidSUBMITTER