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

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3-(2-carboxyethenyl)-cis,cis-muconate

MNXM4321 is deprecated and here replaced by MNXM736029
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM736029
reference	chebi:57713
formula	C₉H₅O₆
global charge	-3
mol weight	209.133
InChIKey	WKDXBDTUVVLFQV-CCAGOZQPSA-K
InChI	InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/p-3/b3-1-,4-2-
SMILES	O=C([O-])C=C(/C=C\C(=O)[O-])/C=C\C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/b3-1-,4-2-
SMILES (mnx)	[CH:1](=[CH:3]\[C:7](=[O:10])[OH:11])\[C:6](/[CH:2]=[CH:4]\[C:8](=[O:12])[OH:13])=[CH:5]\[C:9](=[O:14])[OH:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57713 chebi:57713 WKDXBDTUVVLFQV-CCAGOZQPSA-K	3-(2-carboxyethenyl)-cis,cis-muconate (2Z,5Z)-4-(carboxylatomethylidene)hepta-2,5-dienedioate 3-(2-carboxylatoethenyl)-cis,cis-muconate trianion 3-(2-carboxylatoethenyl)-cis,cis-muconate(3-)
seed.compound:cpd02672 seedM:cpd02672 WKDXBDTUVVLFQV-CCAGOZQPSA-K	3-(2-Carboxyethenyl)-cis,cis-muconate 3-(2-carboxyethenyl)-cis,cis-muconate
metacyc.compound:CPD-1069 metacycM:CPD-1069 WKDXBDTUVVLFQV-CCAGOZQPSA-K	3-(2-carboxyethenyl)-cis,cis-muconate
CHEBI:16281 chebi:16281 WKDXBDTUVVLFQV-CCAGOZQPSA-N	3-(2-carboxyethenyl)-cis,cis-muconic acid (2Z,5Z)-4-(carboxymethylidene)hepta-2,5-dienedioic acid 3-(2-Carboxyethenyl)-cis,cis-muconate 3-(2-carboxyethenyl)-cis,cis-muconate 3-(2-carboxyvinyl)-cis,cis-muconate
chebi:11717 chebi:1421 chebi:19920 seedM:M_cpd02672	secondary/obsolete/fantasy identifier