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Universal:malcoame

malonyl-CoA methyl ester(4-)

Default Component
malcoame:-4
  • malonyl-CoA methyl ester(4-)
  • Charge: -4
  • Formula: C25H36N7O19P3S
CHEBI:71242
  • malonyl-CoA methyl ester(4-)
  • Type: Small Molecule
  • InChiKey: CHQAJZULNPRMEN-FZEDXVDRSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 863.575[0]
  • SMILES: COC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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: malonyl-coenzyme A methyl ester(4-)[0], 5'-O-[({[(15-hydroxy-16,16-dimethyl-3,5,10,14-tetraoxo-2-oxa-6-thia-9,13-diazaheptadecan-17-yl)oxy]phosphinato}oxy)phosphinato]-3'-O-phosphonatoadenosine[0], malonyl-CoA methyl ester[0]
Data Sources: [0] CHEBI:71242 via ChEBI
Linkouts
Data Sources: [0] CHEBI:71242 via ChEBI
Alternative Component
malcoame:0
  • malonyl-CoA methyl ester
  • Charge: 0
  • Formula: C25H40N7O19P3S
CHEBI:71244
  • malonyl-CoA methyl ester
  • Type: Small Molecule
  • InChiKey: CHQAJZULNPRMEN-FZEDXVDRSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 867.607[0]
  • SMILES: COC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(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: malonyl-coenzyme A methyl ester[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methoxy-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}[0], 5'-O-[hydroxy({hydroxy[(15-hydroxy-16,16-dimethyl-3,5,10,14-tetraoxo-2-oxa-6-thia-9,13-diazaheptadecan-17-yl)oxy]phosphoryl}oxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)[0]
Data Sources: [0] CHEBI:71244 via ChEBI
Linkouts
Data Sources: [0] CHEBI:71244 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism