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Universal:3mb2coa

3-methylbut-2-enoyl-CoA(4-)

Default Component
3mb2coa:-4
  • 3-methylbut-2-enoyl-CoA(4-)
  • Charge: -4
  • Formula: C26H38N7O17P3S
CHEBI:57344
  • 3-methylbut-2-enoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: BXIPALATIYNHJN-ZMHDXICWSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 845.603[0], 846.0[1]
  • SMILES: CC(C)=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: 3-methylbut-2-enoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}[0], 3-methylbut-2-enoyl-coenzyme A(4-)[0], 3-methylbut-2-enoyl-CoA tetraanion[0], Dimethylacryloyl-CoA[1], 3-Methylbut-2-enoyl-CoA[1], 3-Methylcrotonoyl-CoA[1], 3-Methylcrotonyl-CoA[1], 3-methylcrotonyl-CoA[1], beta-methylcrotonoyl-CoA[1]
Data Sources: [0] CHEBI:57344 via ChEBI, [1] cpd01966 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57344 via ChEBI, [1] cpd01966 via ModelSEED
Alternative Component
3mb2coa:0
  • 3-methylbut-2-enoyl-CoA
  • Charge: 0
  • Formula: C26H42N7O17P3S
CHEBI:15486
  • 3-methylbut-2-enoyl-CoA
  • Type: Small Molecule
  • InChiKey: BXIPALATIYNHJN-ZMHDXICWSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 849.63594[0]
  • SMILES: CC(C)=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: 3-Methylcrotonyl-CoA[0], 3-Methylbut-2-enoyl-CoA[0], 3-Methylcrotonoyl-CoA[0], Dimethylacryloyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}[0], 3,3-dimethacrylyl-coenzyme A[0], 3,3-dimethacrylyl-CoA[0], beta,beta-dimethacrylyl-CoA[0], beta,beta-dimethacrylyl-coenzyme A[0], S-(3-Methyl-crotonoyl)-coenzym-A[0], S-(3-methylcrotonoyl)-coenzyme-A[0], DMA-CoA[0]
Data Sources: [0] CHEBI:15486 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15486 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism