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> Main
CHEBI:80587 - 2-oxosuberic acid
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ChEBI Name
2-oxosuberic acid
ChEBI ID
CHEBI:80587
Definition
An oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H12O5
Net Charge
0
Average Mass
188.179
Monoisotopic Mass
188.06847
InChI
InChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)
InChIKey
HAGOOZVJLSSXGZ-UHFFFAOYSA-N
SMILES
OC(=O)CCCCCC(=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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-oxosuberic acid (
CHEBI:80587
)
has functional parent
suberic acid (
CHEBI:9300
)
2-oxosuberic acid (
CHEBI:80587
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
2-oxosuberic acid (
CHEBI:80587
)
is conjugate acid of
2-oxosuberate(2−) (
CHEBI:177882
)
Incoming
2-oxosuberate(2−) (
CHEBI:177882
)
is conjugate base of
2-oxosuberic acid (
CHEBI:80587
)
IUPAC Name
2-oxooctanedioic acid
Synonyms
Sources
2-ketosuberic acid
ChEBI
2-oxosuberic acid
ChEBI
α-ketosuberic acid
ChemIDplus
α-oxosuberic acid
ChEBI
Manual Xrefs
Databases
129557
ChemSpider
C00000773
KNApSAcK
C16589
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1778635
Reaxys Registry Number
Reaxys
96406-05-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
18765671
PubMed citation
Europe PMC
32633484
PubMed citation
Europe PMC
Last Modified
19 August 2021