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3-chloro-cis,cis-muconate

PropertiesImage
MNX_IDMNXM2186 Image of MNXM2186
referencechebi:17589
formulaC6H3ClO4
global charge-2
mol weight174.539
InChIKeyICMVYBXQDUXEEE-BXTBVDPRSA-L
InChIInChI=1S/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/p-2/b2-1-,4-3+
SMILESO=C([O-])/C=C\C(Cl)=C/C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)/b2-1-,4-3+ Image of MNXM2186
SMILES (mnx)[CH:1](=[CH:2]\[C:5](=[O:8])[OH:9])\[C:4](=[CH:3]/[C:6](=[O:10])[OH:11])[Cl:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17589
chebi:17589
ICMVYBXQDUXEEE-BXTBVDPRSA-L
3-chloro-cis,cis-muconate
(2E,4Z)-3-chlorohexa-2,4-dienedioate
3-chloro-cis,cis-muconate(2-)

envipath:...19739675f945
envipathM:...19739675f945
sabiork.compound:6721
sabiorkM:6721
vmhM:3chmucnt
vmhmetabolite:3chmucnt
ICMVYBXQDUXEEE-BXTBVDPRSA-L
ICMVYBXQDUXEEE-BXTBVDPRSA-N
3-Chloro-cis,cis-muconate

kegg.compound:C03585
keggC:C03585
ICMVYBXQDUXEEE-BXTBVDPRSA-N
3-Chloro-cis,cis-muconate
(2E,4Z)-3-Chlorohexa-2,4-dienedioate
(2E,4Z)-3-Chlorohexa-2,4-dienedioic acid
3-Chloro-cis,cis-muconic acid

seed.compound:cpd02254
seedM:cpd02254
ICMVYBXQDUXEEE-BXTBVDPRSA-L
3-Chloro-cis,cis-muconate
(2E,4Z)-3-chlorohexa-2,4-dienedioate
3-chloro-cis,cis-muconate

metacyc.compound:CPD-279
metacycM:CPD-279
ICMVYBXQDUXEEE-BXTBVDPRSA-L
3-chloro-cis,cis-muconate
(2E,4Z)-3-chlorohexa-2,4-dienedioate

CHEBI:1472
chebi:1472
lipidmaps:LMFA01090153
lipidmapsM:LMFA01090153
ICMVYBXQDUXEEE-BXTBVDPRSA-N
3-chloro-cis,cis-muconic acid
(2E,4Z)-3-chlorohexa-2,4-dienedioic acid
(E,Z)-3-chloro-2,4-hexadienedioic acid
3-Chloro-cis,cis-muconate

envipath:...b0072a68fdb5
envipathM:...b0072a68fdb5
ICMVYBXQDUXEEE-BXTBVDPRSA-L
compound 0044620

chebi:11768
chebi:19980
keggC:M_C03585
seedM:M_cpd02254
vmhM:M_3chmucnt
secondary/obsolete/fantasy identifier