Basic information
- CAS
88222-72-4- Standard SMILES
CCCCCCCCCCCC(=O)CC(=O)O- InChIKey
XLKOZYOVXNPWGT-UHFFFAOYSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Overview
3-oxotetradecanoic acid is a C14, long-chain fatty acid carrying an oxo- group at position 3. It is a 3-oxo fatty acid and a long-chain fatty acid. It is functionally related to a tetradecanoic acid.
Names & identifiers
- Preferred name
- 3-Oxotetradecanoic acid
- IUPAC
- 3-oxotetradecanoic acid
Names & synonyms
3-oxotetradecanoic acid88222-72-43-Oxomyristic acid3-oxo-tetradecanoic acid3-Oxotetradecanoate3-Oxo-tetradecanoateCHEBI:37270DTXSID103323843-OxomyristateRefChem:95257DTXCID00283477Tetradecanoic acid, 3-oxo-
Show more names
3CO Myristic acid3-ketomyristic acid3-oxo-myristic acidHX28SD9DR6SCHEMBL13758603-Oxidanylidenetetradecanoic acidXLKOZYOVXNPWGT-UHFFFAOYSA-NLMFA01060099
Database identifiers
- CAS
88222-72-4- PubChem CID
- 454064
- DTXSID
DTXSID10332384- ChEBI
CHEBI:37270- UNII
- HX28SD9DR6
- Nikkaji
- J206.149J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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