CHEBI:94780 - (13S)-13-hydroxyoctadeca-9,11-dienoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (13S)-13-hydroxyoctadeca-9,11-dienoic acid
ChEBI ID CHEBI:94780
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H32O3
Net Charge 0
Average Mass 296.446
Monoisotopic Mass 296.23514
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)/t17-/m0/s1
InChIKey HNICUWMFWZBIFP-KRWDZBQOSA-N
SMILES CCCCC[C@@H](C=CC=CCCCCCCCC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (13S)-13-hydroxyoctadeca-9,11-dienoic acid (CHEBI:94780) is a octadecadienoic acid (CHEBI:25627)
Manual Xref Database
LSM-5921 LINCS
View more database links
Last Modified
24 February 2022