CHEBI:72639 - 13-HODE

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ChEBI Name 13-HODE
ChEBI ID CHEBI:72639
Definition A HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H32O3
Net Charge 0
Average Mass 296.446
Monoisotopic Mass 296.235
InChI InChI=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+
InChIKey HNICUWMFWZBIFP-BSZOFBHHSA-N
SMILES C(CCCCCCC/C=C\C=C\C(CCCCC)O)(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 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 Sources
13-hydroxy-9Z,11E-octadecadienoic acid LIPID MAPS
13-hydroxy-cis-9,trans-11-octadecadienoic acid LIPID MAPS
Coriolic acid LIPID MAPS
Manual Xref Database
LMFA02000154 LIPID MAPS
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Registry Number Type Source
1913985 Reaxys Registry Number Reaxys
Last Modified
22 June 2017