1. Home
  2. Universal
  3. Metabolites
  4. ibcoa
Universal:ibcoa

isobutyryl-CoA(4-)

Default Component
ibcoa:-4
  • isobutyryl-CoA(4-)
  • Charge: -4
  • Formula: C25H38N7O17P3S
CHEBI:57338
  • isobutyryl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: AEWHYWSPVRZHCT-NDZSKPAWSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 833.592[0], 834.0[1]
  • SMILES: CC(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: 2-methylpropanoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}[0], isobutyryl-coenzyme A(4-)[0], isobutyryl-CoA tetraanion[0], S-(2-methylpropanoyl)-coenzyme A(4-)[0], 2-methylpropanoyl-CoA(4-)[0], 2-methylpropionyl-CoA(4-)[0], Isobutyryl-CoA[1], 2-Methylpropanoyl-CoA[1], 2-Methylpropionyl-CoA[1], 2-methylpropionyl-CoA[1], M_Isobutyryl_CoA[1], S-(2-methylpropanoyl)-CoA[1], isobutanoyl-CoA[1], isobutyryl-CoA[1], isobutyryl-coenzyme A[1]
Data Sources: [0] CHEBI:57338 via ChEBI, [1] cpd00481 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57338 via ChEBI, [1] cpd00481 via ModelSEED
Alternative Component
ibcoa:0
  • isobutyryl-CoA
  • Charge: 0
  • Formula: C25H42N7O17P3S
CHEBI:15479
  • isobutyryl-CoA
  • Type: Small Molecule
  • InChiKey: AEWHYWSPVRZHCT-NDZSKPAWSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 837.62524[0]
  • SMILES: CC(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: 2-Methylpropanoyl-CoA[0], 2-Methylpropionyl-CoA[0], Isobutyryl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}[0], 2-methylpropionyl-CoA[0], isobutanoyl-CoA[0]
Data Sources: [0] CHEBI:15479 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15479 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism