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Universal:ichor

isochorismate(2-)

Default Component
ichor:-2
  • isochorismate(2-)
  • Charge: -2
  • Formula: C10H8O6
CHEBI:29780
  • isochorismate(2-)
  • Type: Small Molecule
  • InChiKey: NTGWPRCCOQCMGE-YUMQZZPRSA-L
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 224.16692[0], 224.0[1]
  • SMILES: C=C(O[C@H]1C=CC=C(C(=O)[O-])[C@@H]1O)C(=O)[O-][0,1]
  • Names: Isochorismate[0,1], (5S,6S)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylate[0], isochorismate[0,1], Isochorismic acid[1]
Data Sources: [0] CHEBI:29780 via ChEBI, [1] cpd00658 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:29780 via ChEBI, [1] cpd00658 via ModelSEED
Alternative Component
ichor:0
  • isochorismic acid
  • Charge: 0
  • Formula: C10H10O6
CHEBI:17582
  • isochorismic acid
  • Type: Small Molecule
  • InChiKey: NTGWPRCCOQCMGE-YUMQZZPRSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 226.1828[0]
  • SMILES: C=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1O)C(=O)O[0]
  • Names: Isochorismic acid[0], (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid[0]
Data Sources: [0] CHEBI:17582 via ChEBI
Linkouts
Data Sources: [0] CHEBI:17582 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism