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Universal:3mgcoa

trans-3-methylglutaconyl-CoA(5-)

Default Component
3mgcoa:-5
  • trans-3-methylglutaconyl-CoA(5-)
  • Charge: -5
  • Formula: C27H37N7O19P3S
CHEBI:57346
  • trans-3-methylglutaconyl-CoA(5-)
  • Type: Small Molecule
  • InChiKey: GXKSHRDAHFLWPN-RKYLSHMCSA-I
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 888.61[0], 889.0[1]
  • SMILES: C/C(=C\C(=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-])CC(=O)[O-][0,1]
  • Names: 3-methyl-(2E)-glutaconyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylato-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (E)-3-methylglutaconyl-1-CoA(5-)[0], trans-3-methylglutaconyl-coenzyme A(5-)[0], 3-Methylglutaconyl-CoA[1], (E)-3-Methylglutaconyl-1-CoA[1], (E)-3-methylglutaconyl-1-CoA[1], 3-methylglutaconyl-CoA[1], trans-3-Methylglutaconyl-CoA[1], trans-3-methylglutaconyl-CoA[1]
Data Sources: [0] CHEBI:57346 via ChEBI, [1] cpd02068 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57346 via ChEBI, [1] cpd02068 via ModelSEED
Alternative Component
3mgcoa:0
  • trans-3-methylglutaconyl-CoA
  • Charge: 0
  • Formula: C27H42N7O19P3S
CHEBI:15488
  • trans-3-methylglutaconyl-CoA
  • Type: Small Molecule
  • InChiKey: GXKSHRDAHFLWPN-RKYLSHMCSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 893.64[0]
  • SMILES: C/C(=C\C(=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)CC(=O)O[0]
  • Names: 3-Methylglutaconyl-CoA[0], trans-3-Methylglutaconyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxy-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], trans-3-methylglutaconyl-coenzyme A[0], 3-methylglutaconyl CoA[0], (E)-3-methylglutaconyl-1-CoA[0], S-3-methylglutaconyl-coenzyme A[0]
Data Sources: [0] CHEBI:15488 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15488 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism