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> Main
CHEBI:73742 - 4,7-dioxooctanoic acid
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ChEBI Name
4,7-dioxooctanoic acid
ChEBI ID
CHEBI:73742
Definition
A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H12O4
Net Charge
0
Average Mass
172.17850
Monoisotopic Mass
172.07356
InChI
InChI=1S/C8H12O4/c1-6(9)2-3-7(10)4-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKey
PTSAPRTVUVUNGB-UHFFFAOYSA-N
SMILES
CC(=O)CCC(=O)CCC(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):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4,7-dioxooctanoic acid (
CHEBI:73742
)
has functional parent
octanoic acid (
CHEBI:28837
)
4,7-dioxooctanoic acid (
CHEBI:73742
)
has role
metabolite (
CHEBI:25212
)
4,7-dioxooctanoic acid (
CHEBI:73742
)
is a
dioxo monocarboxylic acid (
CHEBI:35951
)
IUPAC Name
4,7-dioxooctanoic acid
Synonym
Source
4,7-dioxocaprylic acid
ChEBI
Manual Xref
Database
LMFA01060156
LIPID MAPS
View more database links
Registry Number
Type
Source
1773787
Reaxys Registry Number
Reaxys
Last Modified
12 September 2013