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Universal:pphn

prephenate(2-)

Default Component
pphn:-2
  • prephenate(2-)
  • Charge: -2
  • Formula: C10H8O6
  • (1s,4s)-prephenate(2-)
  • Type: Small Molecule
  • InChiKey: FPWMCUPFBRFMLH-XGAOUMNUSA-L
  • View on ChEBI
  • prephenate(2-)
  • Type: Small Molecule
  • InChiKey: FPWMCUPFBRFMLH-UHFFFAOYSA-L
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 224.168[0], 224.1669[1], 224.0[2]
  • SMILES: [H][C@]1(O)C=C[C@@](CC(=O)C(=O)[O-])(C(=O)[O-])C=C1[0], O=C([O-])C(=O)CC1(C(=O)[O-])C=CC(O)C=C1[1], O=C([O-])C(=O)C[C@]1(C(=O)[O-])C=C[C@@H](O)C=C1[2]
  • Names: (1s,4s)-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate[0], prephenate[0,1,2], cis-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate[0], cis-prephenate[0], prephenate dianion[1], 1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate[1], Prephenate[2], Prephenic acid[2], prephenate-phe[2], prephenate-tyr[2]
Data Sources: [0] CHEBI:29934 via ChEBI, [1] CHEBI:57852 via ChEBI, [2] cpd00219 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:29934 via ChEBI, [1] CHEBI:57852 via ChEBI, [2] cpd00219 via ModelSEED
Alternative Component
pphn:0
  • prephenic acid
  • Charge: 0
  • Formula: C10H10O6
  • prephenic acid
  • Type: Small Molecule
  • InChiKey: FPWMCUPFBRFMLH-UHFFFAOYSA-N
  • View on ChEBI
  • (1s,4s)-prephenic acid
  • Type: Small Molecule
  • InChiKey: FPWMCUPFBRFMLH-XGAOUMNUSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 226.1828[0,1]
  • SMILES: O=C(O)C(=O)CC1(C(=O)O)C=CC(O)C=C1[0], [H][C@]1(O)C=C[C@@](CC(=O)C(=O)O)(C(=O)O)C=C1[1]
  • Names: Prephenic acid[0], 1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid[0], 1-carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid[0], PREPHENIC ACID[0], cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid[1], Prephenic acid, cis[1], cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid[1], cis-prephenic acid[1], (1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid[1]
Data Sources: [0] CHEBI:16666 via ChEBI, [1] CHEBI:84387 via ChEBI
Linkouts
Data Sources: [0] CHEBI:16666 via ChEBI, [1] CHEBI:84387 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism