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

ChEBI IDCHEBI:85641
ChEBI Name(9E)-12-hydroxyoctadec-9-enoic acid
Stars
ASCII Name(9E)-12-hydroxyoctadec-9-enoic acid
DefinitionA hydroxy fatty acid that is (9E)-octadec-9-enoic (elaidic) acid carrying a hydroxy substituent at position 12.
Last Modified9 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
SMILESCCCCCCC(O)C/C=C/CCCCCCCC(=O)O
InChIInChI=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+
InChIKeyWBHHMMIMDMUBKC-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-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 Relation(s)
(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 acidChEBI
Registry NumbersSources
Reaxys:1912866Reaxys