Basic information
- Standard SMILES
CCCCCC(=O)[O-]- InChIKey
FUZZWVXGSFPDMH-UHFFFAOYSA-M- Molecular formula
- C6H11O2-
- Average molar mass
- 115.15 g/mol
Overview
Hexanoate is a short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). It has a role as a plant metabolite and a human metabolite. It is a short-chain fatty acid anion, a straight-chain saturated fatty acid anion and a fatty acid anion 6:0. It is a conjugate base of a hexanoic acid.
Names & identifiers
- Preferred name
- Hexanoate
- IUPAC
- hexanoate
Names & synonyms
Hexanoatecaproatebutylacetatehexoatecapronatehexylatepentylformaten-caproaten-hexoaten-hexylate1-hexanoate1-pentanecarboxylate
Show more names
CHEBI:17120RefChem:922932n-hexanoateHexanoate anion151-33-7Hexanoic acid, ion(1-)a hexonic acidpentanecarboxylate
Database identifiers
- CAS
151-33-7- PubChem CID
- 4398339
- ChEMBL
CHEMBL14184- ChEBI
CHEBI:17120- Nikkaji
- J215.967H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- -1
- Complexity
- 63.4
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
13 records
Linked notes
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