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Universal:3hmbcoa

(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-)

Default Component
3hmbcoa:-4
  • (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-)
  • Charge: -4
  • Formula: C26H40N7O18P3S
CHEBI:57312
  • (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: PEKYNTFSOBAABV-LQUDNSJZSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 863.62[0], 864.0[1]
  • SMILES: C[C@H](O)[C@H](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: (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}[0], (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A(4-)[0], (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA tetraanion[0], 2-methyl-3-hydroxy-butyryl-CoA[1], (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA[1], (2S,3S)-3-hydroxy-2-methylbutyryl-CoA[1], (S)-3-Hydroxy-2-methylbutyryl-CoA[1], (S)-3-hydroxy-2-methylbutyryl-CoA[1], 2-methyl-3-hydroxybutyryl-CoA[1], 3-Hydroxy-2-methyl-butyryl-CoA[1], 3-hydroxy-2-methylbutyryl-CoA[1], M_3_Hydroxy_2_methyl_butyryl_CoA[1]
Data Sources: [0] CHEBI:57312 via ChEBI, [1] cpd02691 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57312 via ChEBI, [1] cpd02691 via ModelSEED
Alternative Component
3hmbcoa:0
  • (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
  • Charge: 0
  • Formula: C26H44N7O18P3S
CHEBI:15449
  • (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA
  • Type: Small Molecule
  • InChiKey: PEKYNTFSOBAABV-LQUDNSJZSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 867.65122[0]
  • SMILES: C[C@H](O)[C@H](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: (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA[0], (S)-3-Hydroxy-2-methylbutyryl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A[0], (S,S)-3-hydroxy-2-methylbutanoyl-coenzyme A[0], (S,S)-3-hydroxy-2-methylbutyryl-coenzyme A[0]
Data Sources: [0] CHEBI:15449 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15449 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism