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5-oxopent-3-ene-1,2,5-tricarboxylic acid

MNXM1163 is deprecated and here replaced by MNXM1370846
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370846 Image of MNXM1370846
referencechebi:15924
formulaC8H8O7
global charge0
mol weight216.145
InChIKeyWHGVLEMQINVDLH-UHFFFAOYSA-N
InChIInChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)
SMILESO=C(O)CC(C=CC(=O)C(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/b2-1?/t4? Image of MNXM1370846
SMILES (mnx)[CH:1](=[CH:2][C:5]([C:8]([OH:14])=[O:15])=[O:9])[CH:4]([CH2:3][C:6](=[O:10])[OH:11])[C:7](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15924
chebi:15924
WHGVLEMQINVDLH-UHFFFAOYSA-N 		5-oxopent-3-ene-1,2,5-tricarboxylic acid
5-Carboxy-2-oxohept-3-enedioate
5-Oxopent-3-ene-1,2,5-tricarboxylate

seed.compound:cpd02572
seedM:cpd02572
WHGVLEMQINVDLH-UHFFFAOYSA-K 		5-Carboxymethyl-2-hydroxymuconate
2-hydroxy-5-carboxymethylmuconate
5-carboxymethyl-2-hydroxy-cis,cis-muconate
5-carboxymethyl-2-hydroxymuconate
5cm2hm

chebi:12112
chebi:12155
chebi:2039
chebi:20622
seedM:M_cpd02572 		secondary/obsolete/fantasy identifier