8-HETrE
Basic information
- Standard SMILES
CCCCC/C=C\C/C=C\C=C\C(O)CCCCCCC(=O)O- InChIKey
SKIQVURLERJJCK-SFULQBOPSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Overview
8-HETrE is a hydroxyeicosatrienoic acid that consists of 9E,11Z,14Z-eicosatrienoic acid bearing an 8-hydroxy substituent. It has a role as a metabolite. It is functionally related to an all-cis-icosa-8,11,14-trienoic acid.
Names & identifiers
- Preferred name
- 8-HETrE
- IUPAC
- (9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid
Names & synonyms
8-HETrE(9E,11Z,14Z)-8-hydroxyicosa-9,11,14-trienoic acid8-hydroxy-9E,11Z,14Z-icosatrienoic acid8-hydroxy-9E,11Z,14Z-eicosatrienoic acid(9E,11Z,14Z)-8-hydroxyeicosa-9,11,14-trienoic acid8(S)-HETrESCHEMBL3696830CHEBI:72866SKIQVURLERJJCK-SFULQBOPSA-NDTXSID701364191LMFA03050030Q27140197
Show more names
9,11,14-Eicosatrienoic acid, 8-hydroxy-, (8S,9E,11Z,14Z)-(9E,11Z,14Z)-8-hydroxyeicosa-9,11,14-trienoic acid;8-hydroxy-9E,11Z,14Z-eicosatrienoic acid;8-hydroxy-9E,11Z,14Z-icosatrienoic acid
Database identifiers
- PubChem CID
- 71306337
- DTXSID
DTXSID701364191- ChEBI
CHEBI:72866
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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