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2-oxohex-3-enedioic acid

PropertiesImage
MNX_IDMNXM1371232 Image of MNXM1371232
referencechebi:64927
formulaC6H6O5
global charge0
mol weight158.109
InChIKeyQTHJXLFFFTVYJC-UHFFFAOYSA-N
InChIInChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)
SMILESO=C(O)CC=CC(=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)/b2-1? Image of MNXM1371232
SMILES (mnx)[CH:1](=[CH:2][C:4]([C:6]([OH:10])=[O:11])=[O:7])[CH2:3][C:5](=[O:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64927
chebi:64927
QTHJXLFFFTVYJC-UHFFFAOYSA-N 		2-oxohex-3-enedioic acid
4-oxalocrotonic acid
gamma-oxalocrotonic acid

seed.compound:cpd24380
seedM:cpd24380
QTHJXLFFFTVYJC-UHFFFAOYSA-L 		(2Z)-5-oxohex-2-enedioate
(4Z)-2-oxohex-4-enedioate
4-oxaloisocrotonate
gamma-oxaloisocrotonate

seed.compound:cpd23837
seedM:cpd23837
QTHJXLFFFTVYJC-UHFFFAOYSA-L 		(2Z,4E)-2-hydroxyhexa-2,4-dienedioate
(2Z,4E)-2-hydroxymuconate
gamma-oxalocrotonate (misleading)

CHEBI:64928
chebi:64928
QTHJXLFFFTVYJC-UHFFFAOYSA-L 		2-oxohex-3-enedioate

seedM:M_cpd23837
seedM:M_cpd24380 		secondary/obsolete/fantasy identifier