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

2-methylacetoacetyl-CoA(4-)

Default Component
2maacoa:-4
  • 2-methylacetoacetyl-CoA(4-)
  • Charge: -4
  • Formula: C26H38N7O18P3S
CHEBI:57335
  • 2-methylacetoacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: NHNODHRSCRALBF-NQNBQJKNSA-J
  • View on ChEBI
Properties
  • Names: 2-methylacetoacetyl-CoA tetraanion[0], 2-methyl-3-oxobutanoyl-CoA[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}[0], 2-methylacetoacetyl-coenzyme A(4-)[0], 2-Methylacetoacetyl-CoA[1], 2-Methyl-3-acetoacetyl-CoA[1], 2-methyl-3-acetoacetyl-CoA[1], 2-methyl-acetoacetyl-CoA[1], 2-methylacetoacetyl coenzyme A[1], 2-methylacetoacetyl-CoA[1], Coenzyme A, S-(2-methyl-3-oxobutanoate)[1], M_2_Methyl_3_acetoacetyl_CoA[1]
  • Molecular Mass||g/mol: 861.602[0], 862.0[1]
  • SMILES: CC(=O)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]
Data Sources: [0] CHEBI:57335 via ChEBI, [1] cpd02124 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57335 via ChEBI, [1] cpd02124 via ModelSEED
Alternative Component
2maacoa:0
  • 2-methylacetoacetyl-CoA
  • Charge: 0
  • Formula: C26H42N7O18P3S
CHEBI:15476
  • 2-methylacetoacetyl-CoA
  • Type: Small Molecule
  • InChiKey: NHNODHRSCRALBF-NQNBQJKNSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 865.63534[0]
  • SMILES: CC(=O)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: 2-Methylacetoacetyl-CoA[0], 2-Methyl-3-acetoacetyl-CoA[0], 2-methyl-3-acetoacetyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}[0], 2-methylacetoacetyl-coenzyme A[0], 2-methyl-3-acetoacetyl-coenzyme A[0]
Data Sources: [0] CHEBI:15476 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15476 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism