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Universal:rephaccoa

2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-)

Default Component
rephaccoa:-4
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-)
  • Charge: -4
  • Formula: C29H38N7O18P3S
CHEBI:63458
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: ZTMHVINYLDVBNO-FOGVYBFTSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 897.634[0], 901.0[1]
  • SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC12C=CC=CC1O2[0,1]
  • Names: 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA[0,1], 2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], 2-(1,2-Epoxy-1,2-dihydrophenyl)acetyl-CoA[1]
Data Sources: [0] CHEBI:63458 via ChEBI, [1] cpd21301 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:63458 via ChEBI, [1] cpd21301 via ModelSEED
Alternative Component
rephaccoa:0
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
  • Charge: 0
  • Formula: C29H42N7O18P3S
CHEBI:63547
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
  • Type: Small Molecule
  • InChiKey: ZTMHVINYLDVBNO-FOGVYBFTSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 901.666[0]
  • SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC12C=CC=CC1O2[0]
  • Names: 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0]
Data Sources: [0] CHEBI:63547 via ChEBI
Linkouts
Data Sources: [0] CHEBI:63547 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism