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Universal:2sephchc

(1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate

Default Component
2sephchc:-3
  • (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
  • Charge: -3
  • Formula: C14H13O9
CHEBI:58818
  • (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate
  • Type: Small Molecule
  • InChiKey: XYCATPIYKOARSZ-OAIFWDMCSA-K
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 325.2476[0], 325.0[1]
  • SMILES: C=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-][0], C=C(O[C@H]1CC=C(C(=O)CCC(=O)[O-])[C@@H](C(=O)[O-])[C@@H]1O)C(=O)[O-][1]
  • Names: 5-enolpyruvoyl-6-hydroxy-2-succinyl-cyclohex-3-ene-1-carboxylate[0,1], (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatovinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate[0], (1R,2S,5S,6S)-2-(3-carboxylatopropanoyl)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylate[0], 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 2-succinyl-5-enolpyruvoyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate[1], 5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate[1], SEPHCHC[1]
Data Sources: [0] CHEBI:58818 via ChEBI, [1] cpd16335 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:58818 via ChEBI, [1] cpd16335 via ModelSEED
Alternative Component
2sephchc:0
  • (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid
  • Charge: 0
  • Formula: C14H16O9
CHEBI:50271
  • (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid
  • Type: Small Molecule
  • InChiKey: XYCATPIYKOARSZ-OAIFWDMCSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 328.27144[0]
  • SMILES: C=C(O[C@H]1C=C[C@H](C(=O)CCC(=O)O)[C@@H](C(=O)O)[C@@H]1O)C(=O)O[0]
  • Names: (1R,2S,5S,6S)-5-[(1-carboxyethenyl)oxy]-2-(3-carboxypropanoyl)-6-hydroxycyclohex-3-ene-1-carboxylic acid[0], 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic acid[0], SEPHCHC[0], 5-Enolpyruvoyl-6-hydroxy-2-succinylcyclohex-3-ene-1-carboxylate[0]
Data Sources: [0] CHEBI:50271 via ChEBI
Linkouts
Data Sources: [0] CHEBI:50271 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism