CHEBI:31011 - valerate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name valerate
ChEBI ID CHEBI:31011
Definition A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14751, CHEBI:25890
Supplier Information
Download Molfile XML SDF
Formula C5H9O2
Net Charge -1
Average Mass 101.12376
Monoisotopic Mass 101.06080
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-M
SMILES CCCCC([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 (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)
(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)
2,4-diaminopentanoate (CHEBI:16594) 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)
3,5-dihydroxy-3-methylpentanoate (CHEBI:194520) 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)
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)
O-pentanoyl-L-serine residue (CHEBI:177288) 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 Sources
CH3‒[CH2]3‒COO− IUPAC
n-propylacetate ChEBI
pentanoate UniProt
pentanoic acid, ion(1−) ChemIDplus
Registry Numbers Types Sources
10023-74-2 CAS Registry Number ChemIDplus
325619 Gmelin Registry Number Gmelin
3903735 Reaxys Registry Number Reaxys
3903735 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
17314444 PubMed citation Europe PMC
18783570 PubMed citation Europe PMC
Last Modified
23 March 2023