CHEBI:31011 - valerate

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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 No supplier information found for this compound.
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.
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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
Citations Waiting for Citations
Last Modified
23 March 2023