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4-carboxy-2-hydroxy-cis,cis-muconate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1054

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₇H₃O₇

charge

-3

mass

199.09452

reference

chebi:58142

InChIKey

QWLUKZXOQAQUFQ-DXLKSGPOSA-K

InChI

InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)/p-3/b3-2+,4-1+

SMILES

O\C(=C\C(=C/C([O-])=O)\C([O-])=O)C([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58142 chebi:58142	4-carboxy-2-hydroxy-cis,cis-muconate (1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate 4-carboxy-2-hydroxy-cis,cis-muconate trianion 4-carboxy-2-hydroxy-cis,cis-muconate(3-)
kegg.compound:C04324 keggC:C04324	(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate 2-Hydroxy-4-carboxyhexa-2,4-dienedioate 4-Carboxy-2-hydroxy-cis,cis-muconate 4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate
metacyc.compound:CPD-12849 metacycM:CPD-12849	(1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate 4-carboxy-2-hydroxy-cis,cis-muconate 4-carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate
seed.compound:cpd02653 seedM:cpd02653	4-Carboxy-2-hydroxy-cis,cis-muconate (1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate (1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylate 2-Hydroxy-4-carboxyhexa-2,4-dienedioate 4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate 4-carboxy-2-hydroxy-cis,cis-muconate 4-carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate
CHEBI:17424 chebi:17424	4-carboxy-2-hydroxy-cis,cis-muconic acid (1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid 4-Carboxy-2-hydroxy-cis,cis-muconate 4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate 4-carboxy-2-hydroxy-cis,cis-muconate
lipidmaps:LMFA01170072 lipidmapsM:LMFA01170072	4-carboxy-2-hydroxy-cis,cis-muconic acid 4-Carboxy-2-hydroxy-cis,cis-muconate 4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate 4-carboxy-2-hydroxy-cis,cis-muconate 4-carboxy-2-hydroxy-cis,cis-muconic acid 4-hydroxy-1E,3E-butadiene-1,2,4-tricarboxylic acid
chebi:11965 chebi:1791 chebi:20323 keggC:M_C04324 seedM:M_cpd02653	secondary/obsolete/fantasy identifier