MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2,5-dioxopentanoate

	Properties	Image
MNX_ID	MNXM770
reference	chebi:58136
formula	C₅H₅O₄
global charge	-1
mol weight	129.091
InChIKey	VHKNBDIQDAXGBL-UHFFFAOYSA-M
InChI	InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)/p-1
SMILES	O=CCCC(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)
SMILES (mnx)	[CH2:1]([CH2:2][C:4]([C:5]([OH:8])=[O:9])=[O:7])[CH:3]=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58136 chebi:58136 VHKNBDIQDAXGBL-UHFFFAOYSA-M	2,5-dioxopentanoate
bigg.metabolite:25dop biggM:25dop	2 5 Dioxopentanoate
hmdb:HMDB0060365 VHKNBDIQDAXGBL-UHFFFAOYSA-N	2,5-Dioxopentanoate 2,5-Dioxopentanoic acid 2,5-dioxopentanoic acid 2-Oxoglutarate semialdehyde 2-Oxoglutaric acid semialdehyde 2-oxoglutarate semialdehyde
seed.compound:cpd00340 seedM:cpd00340 VHKNBDIQDAXGBL-UHFFFAOYSA-M	2,5-Dioxopentanoate 2,5-dioxopentanoate 2-Oxoglutarate semialdehyde 2-ketoglutarate semialdehyde 2-oxoglutarate semialdehyde 25dop alpha-ketoglutarate semialdehyde
vmhM:25dop vmhmetabolite:25dop VHKNBDIQDAXGBL-UHFFFAOYSA-M	2,5-Dioxopentanoate 2,5-dioxopentanoic acid
kegg.compound:C00433 keggC:C00433 VHKNBDIQDAXGBL-UHFFFAOYSA-N	2,5-Dioxopentanoate 2-Oxoglutarate semialdehyde
sabiork.compound:5091 sabiorkM:5091 VHKNBDIQDAXGBL-UHFFFAOYSA-N	2,5-Dioxopentanoate 2-Oxoglutarate semialdehyde alpha-Ketoglutarate semialdehyde alpha-Ketoglutaric semialdehyde
metacyc.compound:CPD-654 metacycM:CPD-654 VHKNBDIQDAXGBL-UHFFFAOYSA-M	2,5-dioxopentanoate 2,5-dioxovalerate 2-oxoglutarate semialdehyde
CHEBI:17415 chebi:17415 VHKNBDIQDAXGBL-UHFFFAOYSA-N	2,5-dioxopentanoic acid 2,5-Dioxopentanoate 2-Oxoglutarate semialdehyde
envipath:...ae2b20fea3e6 envipathM:...ae2b20fea3e6 VHKNBDIQDAXGBL-UHFFFAOYSA-M	compound 0001247
envipath:...9987c3c5c21e envipathM:...9987c3c5c21e VHKNBDIQDAXGBL-UHFFFAOYSA-M	compound 0073856
hmdb:HMDB60365 chebi:11454 chebi:19385 chebi:938 biggM:M_25dop keggC:M_C00433 seedM:M_cpd00340 vmhM:M_25dop	secondary/obsolete/fantasy identifier