Basic information
- CAS
115-05-9- Standard SMILES
CCCCCCCCCCCC(=O)[O-]- InChIKey
POULHZVOKOAJMA-UHFFFAOYSA-M- Molecular formula
- C12H23O2-
- Average molar mass
- 199.31 g/mol
- Monoisotopic mass
- 199.17035356
Overview
Dodecanoate is a medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an omega-methyl-medium-chain fatty acid anion, a straight-chain saturated fatty acid anion, a medium-chain fatty acid anion, an omega-methyl fatty acid anion and a fatty acid anion 12:0. It is a conjugate base of a dodecanoic acid.
Names & identifiers
- Preferred name
- Dodecanoate
- IUPAC
- dodecanoate
Names & synonyms
Dodecanoaten-Dodecanoatedodecylatelaurostearatevulvate1-undecanecarboxylateCHEBI:18262RefChem:1083953lauratedodecoateduodecyclateduodecylate
Show more names
Dodecanoate aniondodecanoate, 32qhd3ueuundecane-1-carboxylatetin II 2-ethylhexanoateBDBM23434POULHZVOKOAJMA-UHFFFAOYSA-M
Database identifiers
- CAS
115-05-9- PubChem CID
- 4149208
- DTXSID
DTXSID901316267- ChEMBL
CHEMBL108766- ChEBI
CHEBI:18262- Nikkaji
- J216.006D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 127
Safety & regulation
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Uses & manufacturing
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Related reactions
33 records
Compound notes
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