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Universal:14dhncoa

1,4-dihydroxy-2-naphthoyl-CoA(4-)

Default Component
14dhncoa:-4
  • 1,4-dihydroxy-2-naphthoyl-CoA(4-)
  • Charge: -4
  • Formula: C32H38N7O19P3S
CHEBI:58897
  • 1,4-dihydroxy-2-naphthoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: PYTINLGPKDJURZ-HSJNEKGZSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 949.666[0], 950.0[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)c1cc(O)c2ccccc2c1O[0,1]
  • Names: 1,4-dihydroxy-2-naphthoyl-CoA[0,1], 1,4-dihydroxy-2-naphthoyl-CoA tetraanion[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(1,4-dihydroxy-2-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl]diphosphate}[0], 1,4-dihydroxy-2-naphthoyl-coenzyme A(4-)[0], 1,4-Dihydroxy-2-naphthoyl-CoA[1], 1,4-dihydroxy-2-naphthoate-CoA[1], DHNA-CoA[1]
Data Sources: [0] CHEBI:58897 via ChEBI, [1] cpd11217 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:58897 via ChEBI, [1] cpd11217 via ModelSEED
Alternative Component
14dhncoa:0
  • 1,4-dihydroxy-2-naphthoyl-CoA
  • Charge: 0
  • Formula: C32H42N7O19P3S
CHEBI:52668
  • 1,4-dihydroxy-2-naphthoyl-CoA
  • Type: Small Molecule
  • InChiKey: PYTINLGPKDJURZ-HSJNEKGZSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 953.698[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)c1cc(O)c2ccccc2c1O[0]
  • Names: DHNA-CoA[0], 1,4-Dihydroxy-2-naphthoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(1,4-dihydroxy-2-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], 1,4-dihydroxy-2-naphthoyl-coenzyme A[0]
Data Sources: [0] CHEBI:52668 via ChEBI
Linkouts
Data Sources: [0] CHEBI:52668 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism