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E-3-carboxy-2-pentenedioate 6-methyl ester

MNXM3742 is deprecated and here replaced by MNXM735058
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735058 Image of MNXM735058
referencebiggM:aconm
formulaC7H6O6
global charge-2
mol weight186.119
InChIKeyBRYKYSQCLNCYQW-UHFFFAOYSA-L
InChIInChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/p-2
SMILESCOC(=O)C(=CC(=O)[O-])CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2? Image of MNXM735058
SMILES (mnx)[CH3:1][O:13][C:7]([C:4](=[CH:2][C:5](=[O:8])[OH:9])[CH2:3][C:6](=[O:10])[OH:11])=[O:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:aconm
biggM:aconm
vmhM:aconm
vmhmetabolite:aconm
BRYKYSQCLNCYQW-UHFFFAOYSA-L 		E-3-carboxy-2-pentenedioate 6-methyl ester

biggM:M_aconm
vmhM:M_aconm 		secondary/obsolete/fantasy identifier