CHEBI:165794 - 12,13-EpOME(9)

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ChEBI Name 12,13-EpOME(9)
ChEBI ID CHEBI:165794
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/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
InChIKey CCPPLLJZDQAOHD-DHZHZOJOSA-N
SMILES O1C(C1C/C=C/CCCCCCCC(O)=O)CCCCC
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 12,13-EpOME(9) (CHEBI:165794) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
Manual Xrefs Databases
4446141 ChemSpider
LMFA02000276 LIPID MAPS
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Registry Number Type Source
6799-85-5 CAS Registry Number ChemIDplus