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

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(2E,4E)-2,5-dichloromuconate

	Properties	Image
MNX_ID	MNXM5442
reference	chebi:19375
formula	C₆H₂Cl₂O₄
global charge	-2
mol weight	208.984
InChIKey	HECLTTZJJYETPR-ZPUQHVIOSA-L
InChI	InChI=1S/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/p-2/b3-1+,4-2+
SMILES	O=C([O-])/C(Cl)=C\C=C(\Cl)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)/b3-1+,4-2+
SMILES (mnx)	[CH:1](/[CH:2]=[C:4](\[C:6](=[O:11])[OH:12])[Cl:8])=[C:3](/[C:5](=[O:9])[OH:10])[Cl:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19375 chebi:19375 HECLTTZJJYETPR-ZPUQHVIOSA-L	(2E,4E)-2,5-dichloromuconate (2E,4E)-2,5-dichlorohexa-2,4-dienedioate 2,5-dichloro-cis,cis-muconate 2,5-dichloro-cis,cis-muconate(2-)
envipath:...c036cb9d4519 envipathM:...c036cb9d4519 kegg.compound:C07095 keggC:C07095 vmhM:25dcmucnt vmhmetabolite:25dcmucnt HECLTTZJJYETPR-ZPUQHVIOSA-L HECLTTZJJYETPR-ZPUQHVIOSA-N	2,5-Dichloro-cis,cis-muconate
seed.compound:cpd04370 seedM:cpd04370 HECLTTZJJYETPR-ZPUQHVIOSA-L	2,5-Dichloro-cis,cis-muconate 2,5-dichloro-cis,cis-muconate 2,5-dichloro-cis,cis-muconic acid
hmdb:HMDB0304045 HECLTTZJJYETPR-ZPUQHVIOSA-L	2,5-dichloro-cis,cis-muconate (2E,4E)-2,5-Dichloromuconate (2E,4E)-2,5-Dichloromuconic acid (2E,4E)-2,5-dichlorohexa-2,4-dienedioate 2,5-Dichloro-cis,cis-muconate 2,5-Dichloro-cis,cis-muconic acid 2,5-Dichloro-cis,cis-muconic acid(2-)
metacyc.compound:25-DICHLORO-CISCIS-MUCONATE metacycM:25-DICHLORO-CISCIS-MUCONATE HECLTTZJJYETPR-ZPUQHVIOSA-L	2,5-dichloro-cis,cis-muconate 2,5-dichloro-cis,cis-muconic acid
CHEBI:28558 chebi:28558 HECLTTZJJYETPR-ZPUQHVIOSA-N	2,5-dichloro-cis,cis-muconic acid (2E,4E)-2,5-dichlorohexa-2,4-dienedioic acid 2,5-Dichloro-cis,cis-muconate
envipath:...becf2a4facfd envipathM:...becf2a4facfd HECLTTZJJYETPR-ZPUQHVIOSA-L	compound 0282547
chebi:931 keggC:M_C07095 seedM:M_cpd04370 vmhM:M_25dcmucnt	secondary/obsolete/fantasy identifier