Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:86365 - 2-methyl-3-ketovaleric acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-methyl-3-ketovaleric acid
ChEBI ID
CHEBI:86365
Definition
A 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H10O3
Net Charge
0
Average Mass
130.14180
Monoisotopic Mass
130.06299
InChI
InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey
QTLYPQZWYOHATR-UHFFFAOYSA-N
SMILES
CCC(=O)C(C)C(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methyl-3-ketovaleric acid (
CHEBI:86365
)
has functional parent
valeric acid (
CHEBI:17418
)
2-methyl-3-ketovaleric acid (
CHEBI:86365
)
has role
human metabolite (
CHEBI:77746
)
2-methyl-3-ketovaleric acid (
CHEBI:86365
)
is a
3-oxo monocarboxylic acid (
CHEBI:47881
)
IUPAC Name
2-methyl-3-oxopentanoic acid
Synonyms
Sources
2-Methyl-3-oxo-pentanoic acid
HMDB
2-Methyl-3-oxovaleric acid
HMDB
beta-Ketoisocaproic acid
HMDB
Manual Xrefs
Databases
HMDB0000408
HMDB
LMFA01060192
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
14925-93-0
CAS Registry Number
ChemIDplus
6122768
Reaxys Registry Number
Reaxys
Citation
Type
Source
24023812
PubMed citation
Europe PMC
Last Modified
20 January 2017