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

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(2Z,4E)-2,3,5-trichloromuconate

	Properties	Image
MNX_ID	MNXM5433
reference	chebi:19298
formula	C₆HCl₃O₄
global charge	-2
mol weight	243.429
InChIKey	AHDWVTPNJCBFTN-TZFCGSKZSA-L
InChI	InChI=1S/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/p-2/b3-1+,4-2-
SMILES	O=C([O-])/C(Cl)=C(Cl)\C=C(\Cl)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C6H3Cl3O4/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1H,(H,10,11)(H,12,13)/b3-1+,4-2-
SMILES (mnx)	[CH:1](/[C:2](=[C:4](\[C:6](=[O:12])[OH:13])[Cl:9])[Cl:7])=[C:3](/[C:5](=[O:10])[OH:11])[Cl:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:19298 chebi:19298 AHDWVTPNJCBFTN-TZFCGSKZSA-L	(2Z,4E)-2,3,5-trichloromuconate (2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioate 2,3,5-trichloro-cis,cis-muconate 2,3,5-trichloro-cis,cis-muconate(2-)
CHEBI:38426 chebi:38426 AHDWVTPNJCBFTN-TZFCGSKZSA-M	(2E,4Z)-5-carboxy-2,4,5-trichloropenta-2,4-dienoate
CHEBI:36531 chebi:36531 AHDWVTPNJCBFTN-TZFCGSKZSA-M	(2Z,4E)-5-carboxy-2,3,5-trichloropenta-2,4-dienoate
envipath:...807fe029fa86 envipathM:...807fe029fa86 vmhM:tclccmcnt vmhmetabolite:tclccmcnt AHDWVTPNJCBFTN-TZFCGSKZSA-L	2,3,5-Trichloro-cis,cis-muconate
kegg.compound:C12833 keggC:C12833 AHDWVTPNJCBFTN-TZFCGSKZSA-N	2,3,5-Trichloro-cis,cis-muconate 2,3,5-Trichloro-cis,cis-muconic acid
seed.compound:cpd09312 seedM:cpd09312 AHDWVTPNJCBFTN-TZFCGSKZSA-L	2,3,5-Trichloro-cis,cis-muconate 2,3,5-trichloro-cis,cis-muconate
metacyc.compound:CPD-10635 metacycM:CPD-10635 AHDWVTPNJCBFTN-TZFCGSKZSA-L	2,3,5-trichloro-cis,cis-muconate
CHEBI:38427 chebi:38427	2,3,5-trichloro-cis,cis-muconate(1-) hydrogen (2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioate
CHEBI:31069 chebi:31069 lipidmaps:LMFA01090150 lipidmapsM:LMFA01090150 AHDWVTPNJCBFTN-TZFCGSKZSA-N	2,3,5-trichloro-cis,cis-muconic acid (2Z,4E)-2,3,5-trichlorohexa-2,4-dienedioic acid
envipath:...3210fe6a4dad envipathM:...3210fe6a4dad AHDWVTPNJCBFTN-TZFCGSKZSA-L	compound 0053475
keggC:M_C12833 seedM:M_cpd09312 vmhM:M_tclccmcnt	secondary/obsolete/fantasy identifier