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2-oxohex-3-enedioic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM1378245

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₆H₆O₅

charge

mass

158.109

reference

InChIKey

QTHJXLFFFTVYJC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64927 chebi:64927	2-oxohex-3-enedioic acid 4-oxalocrotonic acid gamma-oxalocrotonic acid
seed.compound:cpd24380 seedM:cpd24380	(2Z)-5-oxohex-2-enedioate (4Z)-2-oxohex-4-enedioate 4-oxaloisocrotonate gamma-oxaloisocrotonate
seed.compound:cpd23837 seedM:cpd23837	(2Z,4E)-2-hydroxyhexa-2,4-dienedioate (2Z,4E)-2-hydroxymuconate gamma-oxalocrotonate (misleading)
CHEBI:64928 chebi:64928	2-oxohex-3-enedioate
seedM:M_cpd23837 seedM:M_cpd24380	secondary/obsolete/fantasy identifier