Basic information
- CAS
6799-85-5- Standard SMILES
CCCCCC1OC1C/C=C/CCCCCCCC(=O)O- InChIKey
CCPPLLJZDQAOHD-DHZHZOJOSA-N- Molecular formula
- C18H32O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.23514488
Overview
12,13-EpOME(9) is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 12,13-EpOME(9)
- IUPAC
- (E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
Names & synonyms
12,13-EpOME(9)RefChem:105740912,13-epoxy-9-octadecenoic acid(E)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid6799-85-5CHEMBL28129111-(3-Pentyl-2-oxiranyl)-9-undcenoic acid9-Undecenoic acid, 11-(3-pentyl-2-oxiranyl)-11-(3-pentyloxiran-2-yl)undec-9-enoic acidNSC56858(+/-)12,13-EODESCHEMBL1594474
Show more names
CHEBI:16579412,13-EODE17966-13-112,13-EOABDBM50280208LMFA0200027611-(3-Pentyl-2-oxiranyl)-9-undecenoic acid(E)-11-(3-Pentyl-oxiranyl)-undec-9-enoic acid
Database identifiers
- CAS
6799-85-5- PubChem CID
- 5283014
- ChEMBL
CHEMBL281291- ChEBI
CHEBI:165794- Nikkaji
- J751.616I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 49.8 Ų
- 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
0 records
No reaction records under the current filter.
Compound notes
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