Basic information
- Standard SMILES
CCCCCCCCCCCCCCCC(=O)[O-]- InChIKey
IPCSVZSSVZVIGE-UHFFFAOYSA-M- Molecular formula
- C16H31O2-
- Average molar mass
- 255.42 g/mol
- Monoisotopic mass
- 255.23295381
Overview
Hexadecanoate is a long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a long-chain fatty acid anion, an omega-methyl fatty acid anion, a fatty acid anion 16:0 and a 2-saturated fatty acid anion. It is a conjugate base of a hexadecanoic acid.
Names & identifiers
- Preferred name
- Hexadecanoic acid, ion(1-)
- IUPAC
- hexadecanoate
- English name
- hexadecanoate
- Molecular formula
- C16H31O2-
- Molecular weight
- 0
Names & synonyms
hexadecanoaten-HexadecanoateHexadecanoic acid, ion(1-)143-20-4n-hexadecoate1-hexyldecanoatepentadecanecarboxylateCHEBI:7896DTXSID40162272RefChem:1086523DTXCID60847631-Pentadecanecarboxylate
Show more names
HexadecylateCetylate3qlm3uewhexadecanoate (-1)3l1n69646-00-0Hexadecanoic acid, ion(1-) (9CI)
Database identifiers
- CAS
143-20-4- PubChem CID
- 504166
- DTXSID
DTXSID40162272- ChEBI
CHEBI:7896- Nikkaji
- J941.534C
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- -1
- Complexity
- 172
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.
Additional notes
DefinitionChEBI: A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3.
Related reactions
5 records
Linked notes
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