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

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4-fumarylacetoacetate

	Properties	Image
MNX_ID	MNXM1372023
reference	chebi:18034
formula	C₈H₆O₆
global charge	-2
mol weight	198.13
InChIKey	GACSIVHAIFQKTC-OWOJBTEDSA-L
InChI	InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1+
SMILES	O=C([O-])/C=C/C(=O)CC(=O)CC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/b2-1+
SMILES (mnx)	[CH:1](=[CH:2]/[C:7](=[O:11])[OH:12])\[C:5]([CH2:3][C:6]([CH2:4][C:8](=[O:13])[OH:14])=[O:10])=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-31175 reactomeM:R-ALL-31175 CHEBI:18034 chebi:18034 GACSIVHAIFQKTC-OWOJBTEDSA-L	4-fumarylacetoacetate (2E)-4,6-dioxooct-2-enedioate 4-fumarylacetoacetate dianion 4-fumarylacetoacetate(2-) fumarylacetoacetate
bigg.metabolite:4fumacac biggM:4fumacac GACSIVHAIFQKTC-OWOJBTEDSA-L	4 Fumarylacetoacetate
kegg.compound:C01061 keggC:C01061 GACSIVHAIFQKTC-OWOJBTEDSA-N	4-Fumarylacetoacetate (2E)-4,6-Dioxooct-2-enedioic acid 4-Fumarylacetoacetic acid Fumarylacetoacetate
hmdb:HMDB0001268 GACSIVHAIFQKTC-OWOJBTEDSA-N	4-Fumarylacetoacetic acid (2E)-4,6-Dioxo-2-octenedioic acid (2E)-4,6-dioxooct-2-enedioic acid 4-Fumaryl-acetoacetate 4-Fumarylacetoacetate 4-fumarylacetoacetic acid Fumarylacetoacetate Fumarylacetoacetic acid Fumarylacetoacetone
metacyc.compound:4-FUMARYL-ACETOACETATE metacycM:4-FUMARYL-ACETOACETATE GACSIVHAIFQKTC-OWOJBTEDSA-L	4-fumaryl-acetoacetate (2E)-4,6-dioxooct-2-enedioate
vmhM:4fumacac vmhmetabolite:4fumacac GACSIVHAIFQKTC-OWOJBTEDSA-L	4-fumarylacetoacetate(2-) (2E)-4,6-dioxooct-2-enedioic acid
CHEBI:30907 chebi:30907 GACSIVHAIFQKTC-OWOJBTEDSA-N	4-fumarylacetoacetic acid (2E)-4,6-dioxooct-2-enedioic acid 4-Fumarylacetoacetic acid Fumarylacetoacetone
lipidmaps:LMFA01170066 lipidmapsM:LMFA01170066 GACSIVHAIFQKTC-OWOJBTEDSA-N	4-fumarylacetoacetic acid 4,6-dioxo-2E-octenedioic acid 4-Fumarylacetoacetic acid FA 8:4 Fumarylacetoacetone O4
envipath:...3fce198e749e envipathM:...3fce198e749e GACSIVHAIFQKTC-OWOJBTEDSA-L	Fumarylacetoacetate
seed.compound:cpd00780 seedM:cpd00780 GACSIVHAIFQKTC-OWOJBTEDSA-L	Fumarylacetoacetate (2E)-4,6-dioxooct-2-enedioate 4-Fumarylacetoacetate 4-Fumarylacetoacetic acid 4-fumaryl-acetoacetate 4fumacac
hmdb:HMDB0001428 hmdb:HMDB01268 hmdb:HMDB01428 chebi:11988 chebi:1830 chebi:20368 chebi:20369 biggM:M_4fumacac keggC:M_C01061 seedM:M_cpd00780 vmhM:M_4fumacac	secondary/obsolete/fantasy identifier