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Universal:2mb2coa

2-methylcrotonoyl-CoA(4-)

Default Component
2mb2coa:-4
  • 2-methylcrotonoyl-CoA(4-)
  • Charge: -4
  • Formula: C26H38N7O17P3S
CHEBI:57337
  • 2-methylcrotonoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: PMWATMXOQQZNBX-DKBZLLMOSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 845.603[0], 846.0[1]
  • SMILES: C/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-][0,1]
  • Names: (2E)-2-methylbut-2-enoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}[0], Tiglyl-CoA[1], (E)-2-Methylcrotonoyl-CoA[1], (E)-2-methylbut-2-enoyl-CoA[1], (E)-2-methylcrotonoyl-CoA[1], 2-Methylbut-2-enoyl-CoA[1], 2-Methylcrotanoyl-CoA[1], 2-methyl-crotonyl-CoA[1], 2-methylbut-2-enoyl-CoA[1], Coenzyme A, S-(2-methyl-2-butenoate), (E)-[1], M_2Methyl_but_2_enoyl_CoA[1], Methylcrotonoyl-CoA[1], Methylcrotonyl-CoA[1], Tigloyl-CoA[1], methylcrotonyl-CoA[1], tigloyl-CoA[1], tiglyl-CoA[1], trans-2-Methylbut-2-enoyl-CoA[1], trans-2-methylbut-2-enoyl-CoA[1]
Data Sources: [0] CHEBI:57337 via ChEBI, [1] cpd02125 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57337 via ChEBI, [1] cpd02125 via ModelSEED
Alternative Component
2mb2coa:0
  • 2-methylcrotonoyl-CoA
  • Charge: 0
  • Formula: C26H42N7O17P3S
CHEBI:15478
  • 2-methylcrotonoyl-CoA
  • Type: Small Molecule
  • InChiKey: PMWATMXOQQZNBX-DKBZLLMOSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 849.63594[0]
  • SMILES: C/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[0]
  • Names: trans-2-Methylbut-2-enoyl-CoA[0], Tiglyl-CoA[0], (E)-2-Methylcrotonoyl-CoA[0], 2-Methylcrotanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}[0], Tigloyl-CoA[0], Methylcrotonoyl-CoA[0], Methylcrotonyl-CoA[0]
Data Sources: [0] CHEBI:15478 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15478 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism