Terminology Service for NFDI4Health
hexanoate
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http://purl.obolibrary.org/obo/CHEBI_17120
A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
Term info
Label
hexanoate
Synonyms
- hexanoate
Subsets
3_STAR
charge
-1
formula
C6H11O2
has alternative id
CHEBI:14398, CHEBI:24569
has obo namespace
chebi_ontology
has related synonym
n-caproate, n-hexylate, CH3-[CH2]4-COO(-), pentanecarboxylate, n-hexanoate, capronate, 1-hexanoate, caproate, pentylformate, nPnCO2 anion, hexoate, n-hexoate, 1-pentacarboxylate, hexylate, 1-pentanecarboxylate, butylacetate
id
CHEBI:17120
inchi
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
inchikey
FUZZWVXGSFPDMH-UHFFFAOYSA-M
mass
115.15034
monoisotopicmass
115.07645
smiles
CCCCCC([O-])=O
Term relations
Subclass of:
- short-chain fatty acid anion
- fatty acid anion 6:0
- straight-chain saturated fatty acid anion
- is conjugate base of some hexanoic acid
- has role some human metabolite
- has role some plant metabolite
Related from: