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:33033 - 2-oxopentanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-oxopentanoic acid
ChEBI ID
CHEBI:33033
Definition
An oxopentanoic acid carrying an oxo group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19754, CHEBI:1262
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
C5H8O3
Net Charge
0
Average Mass
116.11522
Monoisotopic Mass
116.04734
InChI
InChI=1S/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
KDVFRMMRZOCFLS-UHFFFAOYSA-N
SMILES
CCCC(=O)C(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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-oxopentanoic acid (
CHEBI:33033
)
has role
human metabolite (
CHEBI:77746
)
2-oxopentanoic acid (
CHEBI:33033
)
is a
2-oxo monocarboxylic acid (
CHEBI:35910
)
2-oxopentanoic acid (
CHEBI:33033
)
is a
oxopentanoic acid (
CHEBI:25799
)
2-oxopentanoic acid (
CHEBI:33033
)
is conjugate acid of
2-oxopentanoate (
CHEBI:28644
)
Incoming
2-oxopentanoate (
CHEBI:28644
)
is conjugate base of
2-oxopentanoic acid (
CHEBI:33033
)
IUPAC Name
2-oxopentanoic acid
Synonyms
Sources
2-ketopentanoic acid
ChemIDplus
2-Oxopentanoic acid
KEGG COMPOUND
2-Oxovalerate
KEGG COMPOUND
2-oxovaleric acid
ChemIDplus
alpha-Ketovaleric acid
KEGG COMPOUND
α-ketovaleric acid
ChEBI
Manual Xrefs
Databases
C06255
KEGG COMPOUND
HMDB0001865
HMDB
LMFA01060004
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1821-02-9
CAS Registry Number
KEGG COMPOUND
1821-02-9
CAS Registry Number
ChemIDplus
635884
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10872864
PubMed citation
Europe PMC
11482739
PubMed citation
Europe PMC
Last Modified
23 October 2015