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4-maleylacetoacetate

MNXM691 is deprecated and here replaced by MNXM1372022
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372022 Image of MNXM1372022
referencechebi:17105
formulaC8H6O6
global charge-2
mol weight198.13
InChIKeyGACSIVHAIFQKTC-UPHRSURJSA-L
InChIInChI=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-
SMILESO=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- Image of MNXM1372022
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)3
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-31135
reactomeM:R-ALL-31135
CHEBI:17105
chebi:17105
GACSIVHAIFQKTC-UPHRSURJSA-L 		4-maleylacetoacetate
(2Z)-4,6-dioxooct-2-enedioate

bigg.metabolite:4mlacac
biggM:4mlacac
GACSIVHAIFQKTC-UPHRSURJSA-L 		4 Maleylacetoacetate

envipath:...c0d043384543
envipathM:...c0d043384543
GACSIVHAIFQKTC-UPHRSURJSA-L 		4-Maleylacetoacetate

kegg.compound:C01036
keggC:C01036
GACSIVHAIFQKTC-UPHRSURJSA-N 		4-Maleylacetoacetate
(2Z)-4,6-Dioxooct-2-enedioic acid
4-Maleylacetoacetic acid

seed.compound:cpd00763
seedM:cpd00763
GACSIVHAIFQKTC-UPHRSURJSA-L 		4-Maleylacetoacetate
(2Z)-4,6-dioxooct-2-enedioate
4-Maleylacetoacetic acid
4-maleyl-acetoacetate
4mlacac

sabiork.compound:5369
sabiorkM:5369
GACSIVHAIFQKTC-UPHRSURJSA-N 		4-Maleylacetoacetate
4-Maleylacetoacetic acid

metacyc.compound:4-MALEYL-ACETOACETATE
metacycM:4-MALEYL-ACETOACETATE
GACSIVHAIFQKTC-UPHRSURJSA-L 		4-maleyl-acetoacetate
(2Z)-4,6-dioxooct-2-enedioate

vmhM:4mlacac
vmhmetabolite:4mlacac
GACSIVHAIFQKTC-UPHRSURJSA-L 		4-maleylacetoacetate
(2Z)-4,6-dioxooct-2-enedioic acid

CHEBI:47904
chebi:47904
GACSIVHAIFQKTC-UPHRSURJSA-N 		4-maleylacetoacetic acid
(2Z)-4,6-dioxooct-2-enedioic acid
4-Maleylacetoacetate
4-Maleylacetoacetic acid
hmdb:HMDB0002052
GACSIVHAIFQKTC-UPHRSURJSA-N 		Maleylacetoacetic acid
(2Z)-4,6-Dioxo-2-octenedioic acid
(2Z)-4,6-dioxooct-2-enedioic acid
4-Maleylacetoacetate
4-Maleylacetoacetic acid
Maleylacetoacetate
maleylacetoacetic acid

lipidmaps:LMFA01170114
lipidmapsM:LMFA01170114
GACSIVHAIFQKTC-UPHRSURJSA-N 		Maleylacetoacetic acid
4,6-dioxo-2Z-octenedioic acid
FA 8:4
O4

hmdb:HMDB02052
chebi:12018
chebi:1888
chebi:20433
chebi:20434
biggM:M_4mlacac
keggC:M_C01036
seedM:M_cpd00763
vmhM:M_4mlacac 		secondary/obsolete/fantasy identifier