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2-oxosuberate

PropertiesImage
MNX_IDMNXM2930 Image of MNXM2930
referencechebi:177882
formulaC8H10O5
global charge-2
mol weight186.163
InChIKeyHAGOOZVJLSSXGZ-UHFFFAOYSA-L
InChIInChI=1S/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)/p-2
SMILESO=C([O-])CCCCCC(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13) Image of MNXM2930
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:6]([C:8]([OH:12])=[O:13])=[O:9])[CH2:3][CH2:5][C:7](=[O:10])[OH:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177882
chebi:177882
HAGOOZVJLSSXGZ-UHFFFAOYSA-L 		2-oxosuberate
2-oxooctanedioate
2-oxooctanedioic acid dianion
2-oxosuberate dianion
2-oxosuberate(2-)
alpha-ketosuberate

seed.compound:cpd16398
seedM:cpd16398
HAGOOZVJLSSXGZ-UHFFFAOYSA-L 		2-Oxosuberate
2-Oxooctanedionic acid
2-oxooctanedionic acid
2-oxosuberate
alpha-Ketosuberate
alpha-ketosuberate

kegg.compound:C16589
keggC:C16589
HAGOOZVJLSSXGZ-UHFFFAOYSA-N 		2-Oxosuberate
2-Oxooctanedionic acid
alpha-Ketosuberate

metacyc.compound:CPD-337
metacycM:CPD-337
HAGOOZVJLSSXGZ-UHFFFAOYSA-L 		2-oxosuberate
2-oxooctanedionic acid
alpha-ketosuberate

CHEBI:80587
chebi:80587
HAGOOZVJLSSXGZ-UHFFFAOYSA-N 		2-oxosuberic acid
2-ketosuberic acid
2-oxooctanedioic acid
alpha-ketosuberic acid
alpha-oxosuberic acid

envipath:...f30f8abc168e
envipathM:...f30f8abc168e
HAGOOZVJLSSXGZ-UHFFFAOYSA-L 		compound 0076759

keggC:M_C16589
seedM:M_cpd16398 		secondary/obsolete/fantasy identifier