Basic information
- CAS
105798-56-9- Standard SMILES
CCC(O)/C=C/CCCCCCCC(=O)O- InChIKey
NSVPCFNUUARRKL-CSKARUKUSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Overview
11-Hydroxy-9-tridecenoic acid is a long-chain fatty acid.
Names & identifiers
- Preferred name
- 11-Hydroxy-9-tridecenoic acid
- IUPAC
- (E)-11-hydroxytridec-9-enoic acid
Names & synonyms
11-Hydroxy-9-tridecenoic acid(9E)-11-hydroxytridec-9-enoic acid105798-56-9RefChem:7788211-Hydroxy-9-tridecenoate(E)-11-hydroxytridec-9-enoic acid11-Hydroxy-9E-tridecenoic acidCHEBI:165449LMFA01050437
Database identifiers
- CAS
105798-56-9- PubChem CID
- 5318367
- ChEBI
CHEBI:165449
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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