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3-carboxy-cis,cis-muconate

PropertiesImage
MNX_IDMNXM1134 Image of MNXM1134
referencechebi:57496
formulaC7H3O6
global charge-3
mol weight183.095
InChIKeyKJOVGYUGXHIVAY-BXTBVDPRSA-K
InChIInChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/p-3/b2-1-,4-3+
SMILESO=C([O-])/C=C\C(=C/C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+ Image of MNXM1134
SMILES (mnx)[CH:1](=[CH:2]\[C:5](=[O:8])[OH:9])\[C:4](=[CH:3]/[C:6](=[O:10])[OH:11])[C:7](=[O:12])[OH:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57496
chebi:57496
KJOVGYUGXHIVAY-BXTBVDPRSA-K
3-carboxy-cis,cis-muconate
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylate
3-carboxy-cis,cis-muconate trianion
3-carboxy-cis,cis-muconate(3-)

envipath:...8fd83d2a0c6e
envipathM:...8fd83d2a0c6e
vmhM:3cmuc
vmhmetabolite:3cmuc
KJOVGYUGXHIVAY-BXTBVDPRSA-K
KJOVGYUGXHIVAY-BXTBVDPRSA-N
3-Carboxy-cis,cis-muconate

seed.compound:cpd00856
seedM:cpd00856
KJOVGYUGXHIVAY-BXTBVDPRSA-K
3-Carboxy-cis,cis-muconate
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylate
3-carboxy-cis,cis-muconate
3cmuc
beta-Carboxy-cis,cis-muconate
beta-carboxy-cis,cis-muconate
cis,cis-Butadiene-1,2,4-tricarboxylate
cis,cis-butadiene-1,2,4-tricarboxylate

sabiork.compound:5415
sabiorkM:5415
kegg.compound:C01163
keggC:C01163
KJOVGYUGXHIVAY-BXTBVDPRSA-N
3-Carboxy-cis,cis-muconate
beta-Carboxy-cis,cis-muconate
cis,cis-Butadiene-1,2,4-tricarboxylate

metacyc.compound:CPD-245
metacycM:CPD-245
KJOVGYUGXHIVAY-BXTBVDPRSA-K
3-carboxy-cis,cis-muconate
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylate
beta-carboxy-cis,cis-muconate
cis,cis-butadiene-1,2,4-tricarboxylate

CHEBI:15749
chebi:15749
KJOVGYUGXHIVAY-BXTBVDPRSA-N
3-carboxy-cis,cis-muconic acid
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid
3-Carboxy-cis,cis-muconate
3-carboxy-cis,cis-muconate
beta-Carboxy-cis,cis-muconate
beta-carboxy-cis,cis-muconate
cis,cis-Butadiene-1,2,4-tricarboxylate
cis,cis-butadiene-1,2,4-tricarboxylate

bigg.metabolite:CCbuttc
biggM:CCbuttc
Cis,cis-Butadiene-1,2,4-tricarboxylate

envipath:...9e80d32490f5
envipathM:...9e80d32490f5
KJOVGYUGXHIVAY-BXTBVDPRSA-K
compound 0042290

chebi:11766
chebi:11767
chebi:12801
chebi:1468
chebi:19976
biggM:M_CCbuttc
keggC:M_C01163
seedM:M_cpd00856
vmhM:M_3cmuc
secondary/obsolete/fantasy identifier