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

Feedback

4,5-dioxopentanoate

	Properties	Image
MNX_ID	MNXM4353
reference	chebi:58055
formula	C₅H₅O₄
global charge	-1
mol weight	129.091
InChIKey	YHUFRVYVNKGICT-UHFFFAOYSA-M
InChI	InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)/p-1
SMILES	O=CC(=O)CCC(=O)[O-]

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58055 chebi:58055 YHUFRVYVNKGICT-UHFFFAOYSA-M	4,5-dioxopentanoate
seed.compound:cpd01809 seedM:cpd01809 YHUFRVYVNKGICT-UHFFFAOYSA-M	4,5-Dioxopentanoate 4,5-dioxopentanoate 4,5-dioxovalerate 4-Oxoglutarate semialdehyde 4-ketoglutarate semialdehyde 4-oxoglutarate semialdehyde diketovalerate
kegg.compound:C02800 keggC:C02800 YHUFRVYVNKGICT-UHFFFAOYSA-N	4,5-Dioxopentanoate 4-Oxoglutarate semialdehyde
metacyc.compound:CPD-473 metacycM:CPD-473 YHUFRVYVNKGICT-UHFFFAOYSA-M	4,5-dioxopentanoate 4,5-dioxovalerate 4-ketoglutarate semialdehyde 4-oxoglutarate semialdehyde diketovalerate
CHEBI:17204 chebi:17204 YHUFRVYVNKGICT-UHFFFAOYSA-N	4,5-dioxopentanoic acid 4,5-Dioxopentanoate 4-Oxoglutarate semialdehyde 4-oxoglutarate semialdehyde
hmdb:HMDB0013233 YHUFRVYVNKGICT-UHFFFAOYSA-N	Gamma-delta-Dioxovaleric acid 4,5-Dioxopentanoate 4,5-Dioxopentanoic acid 4,5-Dioxovaleric acid 4,5-dioxopentanoic acid 4-Oxoglutarate semialdehyde 4-Oxoglutaric acid semialdehyde g-delta-Dioxovalerate g-delta-Dioxovaleric acid g-delta-dioxovalerate g-delta-dioxovaleric acid gamma,delta-Dioxovalerate gamma-delta-Dioxovalerate gamma-delta-dioxovalerate gamma-delta-dioxovaleric acid
envipath:...ff5565a0625d envipathM:...ff5565a0625d YHUFRVYVNKGICT-UHFFFAOYSA-M	compound 0000971
envipath:...f4525cecb99b envipathM:...f4525cecb99b YHUFRVYVNKGICT-UHFFFAOYSA-M	compound 0060940
hmdb:HMDB13233 chebi:11925 chebi:1747 chebi:20274 keggC:M_C02800 seedM:M_cpd01809	secondary/obsolete/fantasy identifier