Basic information
- CAS
15514-85-9- Standard SMILES
CCCCCC=CC=CC(O)CCCCCCCC(=O)O- InChIKey
NPDSHTNEKLQQIJ-UHFFFAOYSA-N- Molecular formula
- C18H32O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.23514488
Overview
9-hydroxy-10,12-octadecadienoic acid has been reported in Valeriana fauriei, Matricaria discoidea, and other organisms with data available.
Names & identifiers
- Preferred name
- 9-Hydroxy-10,12-Octadecadienoic Acid
- IUPAC
- 9-hydroxyoctadeca-10,12-dienoic acid
Names & synonyms
9-hydroxy-10,12-octadecadienoic acid15514-85-910,12-Octadecadienoic acid, 9-hydroxy-RefChem:9147459-hydroxyoctadeca-10,12-dienoic acid(+/-)9-HODE109281-79-0(?)9-HODECBiol_001774SCHEMBL677680DTXSID20868260Bio1_000060
Show more names
Bio1_000549Bio1_001038YCA54367LMFA020003189-hydroxy-10,12octadecadienoic acid9(S)-Hydroxy-10(E),12(Z)-octadecadienoic acid9(S)-HYDROXYOCTADECA-10E,12Z-DIENOIC ACID.(10E,12E)-9-hydroxy-10,12-octadecadienoic acid
Database identifiers
- CAS
15514-85-9- PubChem CID
- 1927
- DTXSID
DTXSID20868260
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…