Basic information
- Standard SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)OC- InChIKey
BDSCYYACNUKQLZ-GJDCDIHCSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- 5(6)-EpETE methyl ester
- IUPAC
- methyl 4-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]butanoate
Names & synonyms
5(6)-EpETE methyl ester127716-49-8methyl 4-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]butanoateMethyl 4-(3-((2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraen-1-yl)oxiran-2-yl)butanoateSCHEMBL29926726BDSCYYACNUKQLZ-GJDCDIHCSA-NDTXSID5013728215(6)-Epoxy-8Z,11Z,14Z,17Z-eicosatetraenoic acid, methyl ester
Database identifiers
- PubChem CID
- 46243151
- DTXSID
DTXSID501372821- Nikkaji
- J2.834.157A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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