Hexadecanoic acid, ion(1-)
Completing data — refresh the page later to see the latest
Basic information
- CAS
143-20-4- 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 propertiesFilling in
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
Compound notes
Loading…