CHEBI:72625 - 9-HOTrE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-HOTrE
ChEBI ID CHEBI:72625
Definition A hydroxyoctadecatrienoic acid that consists of 10E,12Z,15Z-octadecatrienoic acid bearing an additional 9-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H30O3
Net Charge 0
Average Mass 294.42900
Monoisotopic Mass 294.21949
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+
InChIKey RIGGEAZDTKMXSI-CUHSZNQNSA-N
SMILES CC\C=C/C\C=C/C=C/C(O)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 9-HOTrE (CHEBI:72625) has role metabolite (CHEBI:25212)
9-HOTrE (CHEBI:72625) is a HOTrE (CHEBI:72804)
9-HOTrE (CHEBI:72625) is a hydroxy fatty acid (CHEBI:24654)
9-HOTrE (CHEBI:72625) is conjugate acid of 9-HOTrE(1−) (CHEBI:77949)
Incoming 9(S)-HOTrE (CHEBI:80447) is a 9-HOTrE (CHEBI:72625)
9-HOTrE(1−) (CHEBI:77949) is conjugate base of 9-HOTrE (CHEBI:72625)
IUPAC Name
(10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
Synonym Source
9-hydroxy-10E,12Z,15Z-octadecatrienoic acid ChEBI
Registry Number Type Source
2285133 Reaxys Registry Number Reaxys
Last Modified
08 June 2016