CHEBI:85641 - (9E)-12-hydroxyoctadec-9-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9E)-12-hydroxyoctadec-9-enoic acid
ChEBI ID CHEBI:85641
ChEBI ASCII Name (9E)-12-hydroxyoctadec-9-enoic acid
Definition A hydroxy fatty acid that is (9E)-octadec-9-enoic (elaidic) acid carrying a hydroxy substituent at position 12.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H34O3
Net Charge 0
Average Mass 298.46080
Monoisotopic Mass 298.25079
InChI InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
InChIKey WBHHMMIMDMUBKC-FMIVXFBMSA-N
SMILES CCCCCCC(O)C\C=C\CCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641) has functional parent elaidic acid (CHEBI:27997)
(9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641) is a hydroxy fatty acid (CHEBI:24654)
(9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641) is a hydroxy monounsaturated fatty acid (CHEBI:131869)
(9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641) is a long-chain fatty acid (CHEBI:15904)
(9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641) is conjugate acid of (9E)-12-hydroxyoctadec-9-enoate (CHEBI:85152)
Incoming (9E)-12-hydroxyoctadec-9-enoate (CHEBI:85152) is conjugate base of (9E)-12-hydroxyoctadec-9-enoic acid (CHEBI:85641)
IUPAC Name
(9E)-12-hydroxyoctadec-9-enoic acid
Synonym Source
12-hydroxyelaidic acid ChEBI
Registry Number Type Source
1912866 Reaxys Registry Number Reaxys
Last Modified
09 June 2016