MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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

	Properties	Image
MNX_ID	MNXM1054
reference	chebi:58142
formula	C₇H₃O₇
global charge	-3
mol weight	199.094
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([O-])/C=C(\C=C(\O)C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/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)/b3-2+,4-1+
SMILES (mnx)	[CH:1](/[C:3](=[CH:2]\[C:5](=[O:9])[OH:10])[C:6](=[O:11])[OH:12])=[C:4](/[C:7](=[O:13])[OH:14])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58142 chebi:58142 QWLUKZXOQAQUFQ-DXLKSGPOSA-K	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 QWLUKZXOQAQUFQ-DXLKSGPOSA-N	(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate (1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid 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 QWLUKZXOQAQUFQ-DXLKSGPOSA-K	(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
vmhM:4c2hcism vmhmetabolite:4c2hcism QWLUKZXOQAQUFQ-DXLKSGPOSA-N	4-Carboxy-2-hydroxy-cis,cis-muconate
seed.compound:cpd02653 seedM:cpd02653 ODTDYYZJDQGKQT-NSCUHMNNSA-K	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 QWLUKZXOQAQUFQ-DXLKSGPOSA-N	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 QWLUKZXOQAQUFQ-DXLKSGPOSA-N	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 FA 7:4 O5
envipath:...18a22af37f5e envipathM:...18a22af37f5e QWLUKZXOQAQUFQ-DXLKSGPOSA-K	compound 0059470
chebi:11965 chebi:1791 chebi:20323 keggC:M_C04324 seedM:M_cpd02653 vmhM:M_4c2hcism	secondary/obsolete/fantasy identifier