CHEBI:190309 - 9S-hydroxy-10E,12E-octadecadienoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 9S-hydroxy-10E,12E-octadecadienoic acid
ChEBI ID CHEBI:190309
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O3
Net Charge 0
Average Mass 296.451
Monoisotopic Mass 296.23514
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1
InChIKey NPDSHTNEKLQQIJ-RUDINFOGSA-N
SMILES O[C@@H](CCCCCCCC(O)=O)\C=C\C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
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 9S-hydroxy-10E,12E-octadecadienoic acid (CHEBI:190309) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
9S-hydroxy-10E,12E-octadecadienoic acid (CHEBI:190309) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name
(9S,10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
Manual Xrefs Databases
4472254 ChemSpider
LMFA01050277 LIPID MAPS
View more database links
Registry Number Type Source
18104-44-4 CAS Registry Number ChemIDplus
Last Modified
28 March 2022