Universal:accoa

acetyl-CoA(4-)

Default Component
accoa:-4
  • acetyl-CoA(4-)
  • Charge: -4
  • Formula: C23H34N7O17P3S
CHEBI:57288
  • acetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: ZSLZBFCDCINBPY-ZSJPKINUSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 805.539[0], 806.0[1]
  • SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-][0,1]
  • Names: acetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} diphosphate)[0], AcCoA(4-)[0], acetyl-CoA tetraanion[0], acetyl-coenzyme A(4-)[0], Acetyl-CoA[1], Acetyl coenzyme A[1], ac-CoA[1], ac-S-CoA[1], acetyl coenzyme-A[1], acetyl-S-CoA[1], acetylcoenzyme-A[1]
Linkouts
Alternative Component
accoa:0
  • acetyl-CoA
  • Charge: 0
  • Formula: C23H38N7O17P3S
CHEBI:15351
  • acetyl-CoA
  • Type: Small Molecule
  • InChiKey: ZSLZBFCDCINBPY-ZSJPKINUSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 809.578[0]
  • SMILES: CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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[0]
  • Names: Acetyl-CoA[0], Acetyl coenzyme A[0], 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)[0], AcCoA[0], S-acetyl-CoA[0], S-acetyl-coenzyme A[0], S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate[0]
Linkouts
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism