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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17418 - valeric acid
Main
ChEBI Ontology
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ChEBI Name
valeric acid
ChEBI ID
CHEBI:17418
Definition
A straight-chain saturated fatty acid containing five carbon atoms.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:27264, CHEBI:44803, CHEBI:43606, CHEBI:113448, CHEBI:7980, CHEBI:27263
Supplier Information
Download
Molfile
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Molfile
Wikipedia
License
Read full article at Wikipedia
Formula
C5H10O2
Net Charge
0
Average Mass
102.13170
Monoisotopic Mass
102.06808
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
SMILES
CCCCC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
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
(2
R
,3
R
)-2,3-dihydroxy-3-methylpentanoic acid (
CHEBI:27512
)
has functional parent
valeric acid (
CHEBI:17418
)
(2
R
,3
S
)-2-hydroxy-3-methylpentanoic acid (
CHEBI:55536
)
has functional parent
valeric acid (
CHEBI:17418
)
(2
S
)-2-[(
R
)-1-carboxyethylamino]pentanoic acid (
CHEBI:49259
)
has functional parent
valeric acid (
CHEBI:17418
)
(4
R
)-4-hydroxypentanoic acid (
CHEBI:79019
)
has functional parent
valeric acid (
CHEBI:17418
)
(
S
)-4-amino-5-oxopentanoic acid (
CHEBI:15757
)
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
)
2,3,4-trihydroxypentanoic acid (
CHEBI:131364
)
has functional parent
valeric acid (
CHEBI:17418
)
2,5-dioxopentanoic acid (
CHEBI:17415
)
has functional parent
valeric acid (
CHEBI:17418
)
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
)
3,5-dihydroxy-3-methylpentanoic acid (
CHEBI:194519
)
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
)
4,5-dioxopentanoic acid (
CHEBI:17204
)
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
)
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-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
)
5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid (
CHEBI:41904
)
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
)
acetylpyruvic acid (
CHEBI:2424
)
has functional parent
valeric acid (
CHEBI:17418
)
ethyl (4
R
)-4-[((2
R
,5
S
)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3
S
)-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
Sources
1-butanecarboxylic acid
ChemIDplus
1-butanecarboxylic acid
NIST Chemistry WebBook
CH
3
‒[CH
2
]
3
‒COOH
IUPAC
n-BuCOOH
ChEBI
n-Pentanoate
KEGG COMPOUND
n-pentanoic acid
ChemIDplus
n-Valeric acid
KEGG COMPOUND
n-valeric acid
ChemIDplus
Pentanoate
KEGG COMPOUND
Pentanoic acid
KEGG COMPOUND
PENTANOIC ACID
PDBeChem
pentoic acid
ChEBI
propylacetic acid
ChemIDplus
Valerate
KEGG COMPOUND
Valerianic acid
KEGG COMPOUND
Valeriansäure
ChEBI
Valeric acid
KEGG COMPOUND
valeric acid, normal
ChemIDplus
Manual Xrefs
Databases
3130
PPDB
C00001208
KNApSAcK
C00803
KEGG COMPOUND
DB02406
DrugBank
HMDB0000892
HMDB
LEA
PDBeChem
LMFA01010005
LIPID MAPS
Valeric acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
109-52-4
CAS Registry Number
ChemIDplus
109-52-4
CAS Registry Number
NIST Chemistry WebBook
26714
Gmelin Registry Number
Gmelin
969454
Beilstein Registry Number
Beilstein
969454
Reaxys Registry Number
Reaxys
Citation
Type
Source
20507156
PubMed citation
Europe PMC
Last Modified
23 March 2023
General Comment
2011-07-06
Found in the perennial flowering plant valerian. Useful in the cosmetic, food and pharmaceutical industries.