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> Main
CHEBI:45630 - 4-oxopentanoic acid
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ChEBI Name
4-oxopentanoic acid
ChEBI ID
CHEBI:45630
Definition
An oxopentanoic acid with the oxo group in the 4-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:39149, CHEBI:45628
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Formula
C5H8O3
Net Charge
0
Average Mass
116.11522
Monoisotopic Mass
116.04734
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
JOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES
CC(=O)CCC(O)=O
Metabolite of Species
Details
Pleione bulbocodioides
(NCBI:txid141752)
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):
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
4-oxopentanoic acid (
CHEBI:45630
)
has role
plant metabolite (
CHEBI:76924
)
4-oxopentanoic acid (
CHEBI:45630
)
is a
oxopentanoic acid (
CHEBI:25799
)
4-oxopentanoic acid (
CHEBI:45630
)
is a
straight-chain saturated fatty acid (
CHEBI:39418
)
4-oxopentanoic acid (
CHEBI:45630
)
is conjugate acid of
4-oxopentanoate (
CHEBI:39150
)
Incoming
5-aminolevulinic acid (
CHEBI:17549
)
has functional parent
4-oxopentanoic acid (
CHEBI:45630
)
4-oxopentanoate (
CHEBI:39150
)
is conjugate base of
4-oxopentanoic acid (
CHEBI:45630
)
IUPAC Name
4-oxopentanoic acid
Synonyms
Sources
3-acetylpropionic acid
ChemIDplus
3-ketobutane-1-carboxylic acid
ChemIDplus
4-ketovaleric acid
ChemIDplus
4-oxovaleric acid
NIST Chemistry WebBook
β-acetylpropionic acid
NIST Chemistry WebBook
γ-ketovaleric acid
NIST Chemistry WebBook
γ-ketovaleric acid
ChEBI
LAEVULINIC ACID
PDBeChem
Lävulinsäure
ChEBI
LEVA
ChemIDplus
levulic acid
ChEBI
levulinic acid
ChemIDplus
Levulinsäure
ChEBI
Manual Xrefs
Databases
DB02239
DrugBank
HMDB0000720
HMDB
Levulinic_acid
Wikipedia
LMFA01060006
LIPID MAPS
SHF
PDBeChem
View more database links
Registry Numbers
Types
Sources
123-76-2
CAS Registry Number
ChemIDplus
123-76-2
CAS Registry Number
NIST Chemistry WebBook
164703
Gmelin Registry Number
Gmelin
506796
Beilstein Registry Number
Beilstein
506796
Reaxys Registry Number
Reaxys
Citations
Types
Sources
13215009
PubMed citation
Europe PMC
16662002
PubMed citation
Europe PMC
19246769
PubMed citation
Europe PMC
23627123
PubMed citation
Europe PMC
Last Modified
23 October 2015