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CHEBI:31011 - valerate

Default Structure
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
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
valerate (CHEBI:31011) has role plant metabolite (CHEBI:76924)
valerate (CHEBI:31011) is a short-chain fatty acid anion (CHEBI:58951)
valerate (CHEBI:31011) is a straight-chain saturated fatty acid anion (CHEBI:58954)
valerate (CHEBI:31011) is conjugate base of valeric acid (CHEBI:17418)
Incoming Relation(s)
(R)-2-hydroxy-4-methylpentanoate (CHEBI:55535) has functional parent valerate (CHEBI:31011)
(S)-3-methyl-2-oxovalerate (CHEBI:35146) has functional parent valerate (CHEBI:31011)
(S)-4-amino-5-oxopentanoate (CHEBI:11022) has functional parent valerate (CHEBI:31011)
(2R,3R)-2,3-dihydroxy-3-methylpentanoate (CHEBI:49258) has functional parent valerate (CHEBI:31011)
(2R,3S)-2-hydroxy-3-methylpentanoate (CHEBI:55537) has functional parent valerate (CHEBI:31011)
(2S)-2-[(R)-1-carboxyethylamino]pentanoate (CHEBI:15602) has functional parent valerate (CHEBI:31011)
O-pentanoyl-L-serine residue (CHEBI:177288) has functional parent valerate (CHEBI:31011)
2-amino-4-oxopentanoic acid zwitterion (CHEBI:57563) has functional parent valerate (CHEBI:31011)
2-oxopentanoate (CHEBI:28644) has functional parent valerate (CHEBI:31011)
2,4-diaminopentanoate (CHEBI:16594) has functional parent valerate (CHEBI:31011)
3-hydroxy-3-methyl-2-oxopentanoate (CHEBI:53338) has functional parent valerate (CHEBI:31011)
3-methyl-2-oxovalerate (CHEBI:28654) has functional parent valerate (CHEBI:31011)
3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) has functional parent valerate (CHEBI:31011)
4-methyl-2-oxopentanoate (CHEBI:17865) has functional parent valerate (CHEBI:31011)
5-amino-2-oxopentanoate (CHEBI:17572) has functional parent valerate (CHEBI:31011)
5-guanidino-2-oxopentanoate (CHEBI:18253) has functional parent valerate (CHEBI:31011)
5-hydroxypentanoate (CHEBI:16230) has functional parent valerate (CHEBI:31011)
5-oxopentanoate (CHEBI:16120) has functional parent valerate (CHEBI:31011)
acetylpyruvate (CHEBI:15360) has functional parent valerate (CHEBI:31011)
ornithinate (CHEBI:32964) has functional parent valerate (CHEBI:31011)
oxopentanoates (CHEBI:25798) has functional parent valerate (CHEBI:31011)
valproate (CHEBI:60654) has functional parent valerate (CHEBI:31011)
valeric acid (CHEBI:17418) is conjugate acid of valerate (CHEBI:31011)
IUPAC Name 
pentanoate
Synonyms  Source
CH3‒[CH2]3‒COO−IUPAC
n-propylacetateChEBI
pentanoic acid, ion(1−)ChemIDplus
UniProt Name  Source
pentanoateUniProt
Registry NumbersSources
Gmelin:325619Gmelin
Reaxys:3903735Reaxys
CAS:10023-74-2ChemIDplus
Citations