CHEBI:17418 - valeric acid

ChEBI IDCHEBI:17418
ChEBI Namevaleric acid
Stars
DefinitionA straight-chain saturated fatty acid containing five carbon atoms.
Secondary ChEBI IDsCHEBI:7980, CHEBI:27263, CHEBI:27264, CHEBI:43606, CHEBI:44803, CHEBI:113448
Last Modified23 March 2023
DownloadsMolfile
FormulaC5H10O2
Net Charge0
Average Mass102.133
Monoisotopic Mass102.06808
SMILESCCCCC(=O)O
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKeyNQPDZGIKBAWPEJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
valeric acid (CHEBI:17418) has role plant metabolite (CHEBI:76924)
valeric acid (CHEBI:17418) is a short-chain fatty acid (CHEBI:26666)
valeric acid (CHEBI:17418) is a straight-chain saturated fatty acid (CHEBI:39418)
valeric acid (CHEBI:17418) is conjugate acid of valerate (CHEBI:31011)
Incoming Relation(s)
(S)-4-amino-5-oxopentanoic acid (CHEBI:15757) has functional parent valeric acid (CHEBI:17418)
(2R,3R)-2,3-dihydroxy-3-methylpentanoic acid (CHEBI:27512) has functional parent valeric acid (CHEBI:17418)
(2R,3S)-2-hydroxy-3-methylpentanoic acid (CHEBI:55536) has functional parent valeric acid (CHEBI:17418)
(2S)-2-[(R)-1-carboxyethylamino]pentanoic acid (CHEBI:49259) has functional parent valeric acid (CHEBI:17418)
(4R)-4-hydroxypentanoic acid (CHEBI:79019) has functional parent valeric acid (CHEBI:17418)
O-valeroylcarnitine (CHEBI:86050) has functional parent valeric acid (CHEBI:17418)
p-N,N-bis(2-chloroethyl)aminophenylvaleric acid (CHEBI:25813) has functional parent valeric acid (CHEBI:17418)
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) has functional parent valeric acid (CHEBI:17418)
1-palmitoyl-2-valeroyl-sn-glycero-3-phosphocholine (CHEBI:77833) has functional parent valeric acid (CHEBI:17418)
2-amino-4-oxopentanoic acid (CHEBI:15914) has functional parent valeric acid (CHEBI:17418)
2-aminopentanoic acid (CHEBI:19475) has functional parent valeric acid (CHEBI:17418)
2-hydroxy-4-methylvalerate (CHEBI:133577) has functional parent valeric acid (CHEBI:17418)
2-hydroxy-4-methylvaleric acid (CHEBI:59783) has functional parent valeric acid (CHEBI:17418)
2-hydroxypentanoic acid (CHEBI:60647) has functional parent valeric acid (CHEBI:17418)
2-methyl-3-ketovaleric acid (CHEBI:86365) has functional parent valeric acid (CHEBI:17418)
2-phenylethyl pentanoate (CHEBI:87323) has functional parent valeric acid (CHEBI:17418)
2,3,4-trihydroxypentanoic acid (CHEBI:131364) has functional parent valeric acid (CHEBI:17418)
2,5-dioxopentanoic acid (CHEBI:17415) has functional parent valeric acid (CHEBI:17418)
3-hydroxy-3-methyl-2-oxopentanoic acid (CHEBI:28710) has functional parent valeric acid (CHEBI:17418)
3-hydroxypentanoic acid (CHEBI:139272) has functional parent valeric acid (CHEBI:17418)
3-methyl-2-oxovaleric acid (CHEBI:35932) has functional parent valeric acid (CHEBI:17418)
3,5-dihydroxy-3-methylpentanoic acid (CHEBI:194519) has functional parent valeric acid (CHEBI:17418)
4-hydroxy-2-oxopentanoic acid (CHEBI:17655) has functional parent valeric acid (CHEBI:17418)
4-methyl-2-oxopentanoic acid (CHEBI:48430) has functional parent valeric acid (CHEBI:17418)
4-methyl-3-oxopentanoic acid (CHEBI:29024) has functional parent valeric acid (CHEBI:17418)
4,5-dioxopentanoic acid (CHEBI:17204) has functional parent valeric acid (CHEBI:17418)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) has functional parent valeric acid (CHEBI:17418)
5-[(1-phenylcyclohexyl)amino]pentanoic acid (CHEBI:63596) has functional parent valeric acid (CHEBI:17418)
5-[(4-nitrobenzyl)(phosphonomethyl)amino]valeric acid (CHEBI:40413) has functional parent valeric acid (CHEBI:17418)
5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid (CHEBI:41904) has functional parent valeric acid (CHEBI:17418)
5-amino-2-oxopentanoic acid (CHEBI:49268) has functional parent valeric acid (CHEBI:17418)
5-aminopentanoic acid (CHEBI:15887) has functional parent valeric acid (CHEBI:17418)
5-guanidino-2-oxopentanoic acid (CHEBI:28116) has functional parent valeric acid (CHEBI:17418)
5-guanidino-3-methyl-2-oxopentanoic acid (CHEBI:64288) has functional parent valeric acid (CHEBI:17418)
5-hydroxypentanoic acid (CHEBI:45564) has functional parent valeric acid (CHEBI:17418)
5-phenylpentanoic acid (CHEBI:40131) has functional parent valeric acid (CHEBI:17418)
acetylpyruvic acid (CHEBI:2424) has functional parent valeric acid (CHEBI:17418)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) has functional parent valeric acid (CHEBI:17418)
gemfibrozil (CHEBI:5296) has functional parent valeric acid (CHEBI:17418)
mevaldic acid (CHEBI:17646) has functional parent valeric acid (CHEBI:17418)
oxopentanoic acid (CHEBI:25799) has functional parent valeric acid (CHEBI:17418)
pentanamide (CHEBI:16459) has functional parent valeric acid (CHEBI:17418)
pentanoyl-CoA (CHEBI:15536) has functional parent valeric acid (CHEBI:17418)
perfluoropentanoic acid (CHEBI:83491) has functional parent valeric acid (CHEBI:17418)
valproic acid (CHEBI:39867) has functional parent valeric acid (CHEBI:17418)
valerate (CHEBI:31011) is conjugate base of valeric acid (CHEBI:17418)
valeryl group (CHEBI:27265) is substituent group from valeric acid (CHEBI:17418)
IUPAC Name 
pentanoic acid
Synonyms  Source
1-butanecarboxylic acidChemIDplus
1-butanecarboxylic acidNIST Chemistry WebBook
CH3‒[CH2]3‒COOHIUPAC
n-BuCOOHChEBI
n-PentanoateKEGG COMPOUND
n-pentanoic acidChemIDplus
Manual XrefsDatabases
3130PPDB
C00001208KNApSAcK
C00803KEGG COMPOUND
DB02406DrugBank
HMDB0000892HMDB
LEAPDBeChem
LMFA01010005LIPID MAPS
Valeric acidWikipedia
Registry NumbersSources
Gmelin:26714Gmelin
Reaxys:969454Reaxys
CAS:109-52-4KEGG COMPOUND
CAS:109-52-4NIST Chemistry WebBook
CAS:109-52-4ChemIDplus
Citations