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CHEBI:72639 - 13-HODE

ChEBI IDCHEBI:72639
ChEBI Name13-HODE
Stars
DefinitionA HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent.
Last Modified22 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+
InChIKeyHNICUWMFWZBIFP-BSZOFBHHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
13-HODE (CHEBI:72639) has role metabolite (CHEBI:25212)
13-HODE (CHEBI:72639) is a HODE (CHEBI:36328)
13-HODE (CHEBI:72639) is conjugate acid of 13-HODE(1−) (CHEBI:133819)
Incoming Relation(s)
13-oxo-9Z,11E-ODE (CHEBI:68947) has functional parent 13-HODE (CHEBI:72639)
13(R)-HODE (CHEBI:137495) is a 13-HODE (CHEBI:72639)
13-HODE(1−) (CHEBI:133819) is conjugate base of 13-HODE (CHEBI:72639)
IUPAC Name 
(9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms  Source
13-hydroxy-9Z,11E-octadecadienoic acidLIPID MAPS
13-hydroxy-cis-9,trans-11-octadecadienoic acidLIPID MAPS
Coriolic acidLIPID MAPS
Manual XrefsDatabases
LMFA02000154LIPID MAPS
Registry NumbersSources
Reaxys:1913985Reaxys