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CHEBI:31011 - valerate

ChEBI IDCHEBI:31011
ChEBI Namevalerate
Stars
DefinitionA short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
Secondary ChEBI IDsCHEBI:14751, CHEBI:25890
Last Modified23 March 2023
SubmitterKirill Degtyarenko
DownloadsMolfile

FormulaC5H9O2
Net Charge-1
Average Mass101.125
Monoisotopic Mass101.06080
SMILESCCCCC(=O)[O-]
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-M

Roles Classification

ChEBI Ontology
IUPAC Name 
pentanoate
Synonyms  Source
pentanoic acid, ion(1−)ChemIDplus
CH3‒[CH2]3‒COO−IUPAC
n-propylacetateChEBI
UniProt Name  Source
pentanoateUniProt
Registry NumbersSources
Gmelin:325619Gmelin
Reaxys:3903735Reaxys
CAS:10023-74-2ChemIDplus
Citations