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4-oxalocrotonate

PropertiesImage
MNX_IDMNXM738769 Image of MNXM738769
referencemetacycM:CPD-13337
formulaC6H4O5
global charge-2
mol weight156.093
InChIKeyOOEDHTCVMHDXRH-HNQUOIGGSA-L
InChIInChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/p-2/b3-1+
SMILESO=C([O-])/C=C/CC(=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)/b3-1+ Image of MNXM738769
SMILES (mnx)[CH:1](\[CH2:2][C:4]([C:6]([OH:10])=[O:11])=[O:7])=[CH:3]/[C:5](=[O:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-13337
metacycM:CPD-13337
OOEDHTCVMHDXRH-HNQUOIGGSA-L 		4-oxalocrotonate
(2E)-5-oxohex-2-enedioate
(4E)-2-oxohex-4-enedioate
2-oxo-3-hexenedioate

seed.compound:cpd02183
seedM:cpd02183
QTHJXLFFFTVYJC-UHFFFAOYSA-L 		4-Oxalocrotonate
(2E)-5-oxohex-2-enedioate
(4E)-2-oxohex-4-enedioate
(Z)-5-Oxohex-2-enedioate
2-oxo-3-hexenedioate
4-oxalocrotonate
gamma-Oxalocrotonate
oxalc

envipath:...dc403fb3088e
envipathM:...dc403fb3088e
OOEDHTCVMHDXRH-HNQUOIGGSA-L 		compound 0069793

seedM:M_cpd02183 		secondary/obsolete/fantasy identifier