CHEBI:145036 - methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
ChEBI ID CHEBI:145036
ChEBI ASCII Name methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
Definition A hydroperoxy fatty ester that is the methyl ester of (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C19H34O4
Net Charge 0
Average Mass 326.477
Monoisotopic Mass 326.24571
InChI InChI=1S/C19H34O4/c1-3-4-5-6-7-9-12-15-18(23-21)16-13-10-8-11-14-17-19(20)22-2/h7,9,12,15,18,21H,3-6,8,10-11,13-14,16-17H2,1-2H3/b9-7-,15-12+/t18-/m0/s1
InChIKey NAIVAZYIMZYEHW-GJHUJFKISA-N
SMILES C(CCCCCCC[C@@H](OO)/C=C/C=C\CCCCC)(=O)OC
ChEBI Ontology
Outgoing methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate (CHEBI:145036) has functional parent methyl linoleate (CHEBI:69080)
methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate (CHEBI:145036) is a hydroperoxy fatty ester (CHEBI:145037)
methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate (CHEBI:145036) is a methyl ester (CHEBI:25248)
methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate (CHEBI:145036) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name
methyl (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate
Synonyms Sources
1-O-methyl-(9R)-hydroperoxy-(10E,12Z)-octadecadienoate UniProt
9R-HPODE methyl ester ChEBI
9R-hydroperoxy-(10E,12Z)-octadecadienoic acid methyl ester ChEBI
Citation Waiting for Citations Type Source
16129665 PubMed citation SUBMITTER
Last Modified
28 October 2019