CHEBI:72641 - 13-HOTrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13-HOTrE
ChEBI ID CHEBI:72641
Definition A hydroxyoctadecatrienoic acid that consists of 9Z,11E,15Z-octadecatrienoic acid bearing an additional 13-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H30O3
Net Charge 0
Average Mass 294.42900
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+
InChIKey KLLGGGQNRTVBSU-JDTPQGGVSA-N
SMILES CC\C=C/CC(O)\C=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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via HOTrE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-HOTrE (CHEBI:72641) is a HOTrE (CHEBI:72804)
13-HOTrE (CHEBI:72641) is a hydroxy fatty acid (CHEBI:24654)
Incoming 13(S)-HOTrE (CHEBI:84441) is a 13-HOTrE (CHEBI:72641)
IUPAC Name
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
Synonyms Sources
13-HOTE LIPID MAPS
13-hydroxy-9Z,11E,15Z-octadecatrienoic acid ChEBI
13-OH-9Z,11E,15Z-octadecatrienoic acid LIPID MAPS
Manual Xrefs Databases
HMDB0010203 HMDB
LMFA02000029 LIPID MAPS
View more database links
Registry Number Type Source
2648272 Reaxys Registry Number Reaxys
Last Modified
23 October 2015