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Universal:2mcacn

(Z)-but-2-ene-1,2,3-tricarboxylate

Default Component
2mcacn:-3
  • (Z)-but-2-ene-1,2,3-tricarboxylate
  • Charge: -3
  • Formula: C7H5O6
CHEBI:57872
  • (Z)-but-2-ene-1,2,3-tricarboxylate
  • Type: Small Molecule
  • InChiKey: NUZLRKBHOBPTQV-ARJAWSKDSA-K
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 185.111[0], 185.0[1]
  • SMILES: C/C(C(=O)[O-])=C(\CC(=O)[O-])C(=O)[O-][0,1]
  • Names: 2-methyl-cis-aconitate[0,1], (1Z)-1-methylprop-1-ene-1,2,3-tricarboxylate[0], (2Z)-but-2-ene-1,2,3-tricarboxylate[0], cis-2-Methylaconitate[1], (Z)-But-2-ene-1,2,3-tricarboxylate[1], (Z)-but-2-ene-1,2,3-tricarboxylate[1], 2-methyl-cis-aconitase[1], 2-methylaconitate[1], cis-2-methylaconitate[1]
Data Sources: [0] CHEBI:57872 via ChEBI, [1] cpd02597 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57872 via ChEBI, [1] cpd02597 via ModelSEED
Alternative Component
2mcacn:0
  • (Z)-but-2-ene-1,2,3-tricarboxylic acid
  • Charge: 0
  • Formula: C7H8O6
CHEBI:16717
  • (Z)-but-2-ene-1,2,3-tricarboxylic acid
  • Type: Small Molecule
  • InChiKey: NUZLRKBHOBPTQV-ARJAWSKDSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 188.1348[0]
  • SMILES: C/C(C(=O)O)=C(\CC(=O)O)C(=O)O[0]
  • Names: (Z)-But-2-ene-1,2,3-tricarboxylate[0], cis-2-Methylaconitate[0], (Z)-but-2-ene-1,2,3-tricarboxylate[0], (2Z)-but-2-ene-1,2,3-tricarboxylic acid[0], alpha-Methylaconitate[0], alpha-Methyl-cis-aconitate[0], cis-2-Butene-1,2,3-tricarboxylic acid[0]
Data Sources: [0] CHEBI:16717 via ChEBI
Linkouts
Data Sources: [0] CHEBI:16717 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism