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Universal:3hibutcoa

(S)-3-hydroxyisobutyryl-CoA(4-)

Default Component
3hibutcoa:-4
  • (S)-3-hydroxyisobutyryl-CoA(4-)
  • Charge: -4
  • Formula: C25H38N7O18P3S
CHEBI:62611
  • (S)-3-hydroxyisobutyryl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: WWEOGFZEFHPUAM-UQCJFRAESA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 849.592[0], 850.0[1,2], 853.0[3]
  • SMILES: C[C@@H](CO)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-][0,3], CC(CO)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-][1], C[C@H](CO)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-][2]
  • Names: (S)-3-hydroxyisobutanoyl-CoA(4-)[0], (S)-3-hydroxy-2-methylpropanoyl-coenzyme A(4-)[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (S)-3-hydroxyisobutanoyl-CoA[0], 3-Hydroxyisobutyryl-CoA[1], 3-HYDROXY-ISOBUTYRYL-COA[1], 3-Hydroxy-2-methylpropanoyl-CoA[1], 3-Hydroxy-2-methylpropionyl-CoA[1], 3-Hydroxyisobutyryl coenzyme A[1], 3-hydroxy-isobutyryl-CoA[1], M_3_Hydroxy_isobutyryl_CoA[1], (S)-3-Hydroxyisobutyryl-CoA[2], (R)-3-Hydroxy-2-methylpropionyl-CoA[2], (R)-3-hydroxy-2-methylpropanoyl-CoA[2], (R)-3-hydroxy-isobutanoyl-CoA[2], (R)-3-hydroxy-isobutyryl-CoA[2], (R)-3-hydroxy-isobutyryl-coenzyme A[2], (R)-beta-hydroxy-isobutyryl-CoA[2], (S)-3-Hydroxy-2-methylpropionyl-CoA[3], (S)-3-hydroxy-2-methylpropanoyl-CoA[3], (S)-3-hydroxy-isobutanoyl-CoA[3], (S)-3-hydroxy-isobutyryl-CoA[3], (S)-3-hydroxy-isobutyryl-coenzyme A[3], (S)-beta-hydroxy-isobutyryl-CoA[3]
Data Sources: [0] CHEBI:62611 via ChEBI, [1] cpd02503 via ModelSEED, [2] cpd03572 via ModelSEED, [3] cpd23280 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:62611 via ChEBI, [1] cpd02503 via ModelSEED, [2] cpd03572 via ModelSEED, [3] cpd23280 via ModelSEED
Alternative Component
3hibutcoa:0
  • (S)-3-hydroxyisobutyryl-CoA
  • Charge: 0
  • Formula: C25H42N7O18P3S
CHEBI:28259
  • (S)-3-hydroxyisobutyryl-CoA
  • Type: Small Molecule
  • InChiKey: WWEOGFZEFHPUAM-UQCJFRAESA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 853.625[0]
  • SMILES: C[C@@H](CO)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: (S)-3-Hydroxyisobutyryl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (S)-3-hydroxyisobutyryl-coenzyme A[0], (S)-3-hydroxyisobutanoyl-CoA[0], (S)-3-hydroxyisobutanoyl-coenzyme A[0], (S)-3-hydroxy-2-methylpropanoyl-coenzyme A[0], (S)-3-hydroxy-2-methylpropionyl-coenzyme A[0]
Data Sources: [0] CHEBI:28259 via ChEBI
Linkouts
Data Sources: [0] CHEBI:28259 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism