9,10-Epoxy-12-octadecenoic acid

HCID 5283018

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Basic information

CAS: 2919296-45-8
Standard SMILES: CCCCC/C=C/CC1OC1CCCCCCCC(=O)O
InChIKey: FBUKMFOXMZRGRB-JXMROGBWSA-N
Molecular formula: C18H32O3
Average molar mass: 296.4 g/mol
Monoisotopic mass: 296.23514488

Overview

9,10-epoxy-12-octadecenoic acid is a medium-chain fatty acid.

Names & identifiers

Preferred name: 9,10-Epoxy-12-octadecenoic acid
IUPAC: 8-[3-[(E)-oct-2-enyl]oxiran-2-yl]octanoic acid

Names & synonyms

9,10-Epoxy-12-octadecenoic acid65167-83-1RefChem:9146689,10-Epoxy-12-octadecenoate8-[3-[(E)-oct-2-enyl]oxiran-2-yl]octanoic acidCHEMBL284849,10-EpOME(12)3-(2-Octenyl)oxiraneoctanoic acid(+)-CORONARIC ACIDSCHEMBL2228907(E)-8-(3-(Oct-2-en-1-yl)oxiran-2-yl)octanoic acid9,10-EODE

Show more names

CHEBI:190311DTXSID201357894BDBM50280210LMFA02000280Oxiraneoctanoic acid, 3-(2-octenyl)-8-[((E)-3-Oct-2-enyl)-oxiranyl]-octanoic acid8-{3-[(2E)-OCT-2-EN-1-YL]OXIRAN-2-YL}OCTANOIC ACID2919296-45-8

Database identifiers

CAS: 2919296-45-8、65167-83-1
PubChem CID: 5283018
DTXSID: DTXSID201357894
ChEMBL: CHEMBL28484
ChEBI: CHEBI:190311
Nikkaji: J402.006E

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 21
Formal charge: 0
Complexity: 299

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]

Related reactions

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Compound notes

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