EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85136 - (9E)-12-(phosphonooxy)octadecenoic acid

ChEBI IDCHEBI:85136
ChEBI Name(9E)-12-(phosphonooxy)octadecenoic acid
Stars
ASCII Name(9E)-12-(phosphonooxy)octadecenoic acid
DefinitionA carboxyalkyl phosphate that is (9E)-octadecenoic acid carrying a phosphonooxy substituent at position 12.
Secondary ChEBI IDCHEBI:85631
Last Modified1 May 2015
Submitternhn, Steve
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-FMIVXFBMSA-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)
(9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136) has functional parent elaidic acid (CHEBI:27997)
(9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136) is a carboxyalkyl phosphate (CHEBI:36952)
(9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136) is conjugate acid of (9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137)
Incoming Relation(s)
(9E)-12-(phosphonooxy)octadecenoate(3−) (CHEBI:85137) is conjugate base of (9E)-12-(phosphonooxy)octadecenoic acid (CHEBI:85136)
IUPAC Name 
(9E)-12-(phosphonatooxy)octadec-9-enoic acid
Synonym  Source
12-(phosphonooxy)elaidic acidSUBMITTER
Citations