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Universal:hmgcoa

(3S)-3-hydroxy-3-methylglutaryl-CoA(5-)

Default Component
hmgcoa:-5
  • (3S)-3-hydroxy-3-methylglutaryl-CoA(5-)
  • Charge: -5
  • Formula: C27H39N7O20P3S
CHEBI:43074
  • (3S)-3-hydroxy-3-methylglutaryl-CoA(5-)
  • Type: Small Molecule
  • InChiKey: CABVTRNMFUVUDM-VRHQGPGLSA-I
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 906.62[0], 907.0[1]
  • SMILES: CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)[O-][0,1]
  • Names: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A[0], (3S)-3-hydroxy-3-methylglutaryl-CoA[0], HMG-CoA[1], (S)-3-Hydroxy-3-methylglutaryl-CoA[1], (S)-3-hydroxy-3-methylglutaryl-CoA[1], 3-Hydroxy-3-methylglutaryl-CoA[1], 3-hydroxy-3-methyl-glutaryl-CoA[1], 3-hydroxy-3-methylglutaryl-coenzyme A[1], Coenzyme A, S-(hydrogen 3-hydroxy-3-methylpentanedioate)[1], Hydroxymethylglutaroyl coenzyme A[1], Hydroxymethylglutaryl-CoA[1], hydroxymethylglutaryl-CoA[1]
Data Sources: [0] CHEBI:43074 via ChEBI, [1] cpd00292 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:43074 via ChEBI, [1] cpd00292 via ModelSEED
Alternative Component
hmgcoa:0
  • (3S)-3-hydroxy-3-methylglutaryl-CoA
  • Charge: 0
  • Formula: C27H44N7O20P3S
CHEBI:15467
  • (3S)-3-hydroxy-3-methylglutaryl-CoA
  • Type: Small Molecule
  • InChiKey: CABVTRNMFUVUDM-VRHQGPGLSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 911.66072[0]
  • SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)O[0]
  • Names: (S)-3-Hydroxy-3-methylglutaryl-CoA[0], Hydroxymethylglutaryl-CoA[0], Hydroxymethylglutaroyl coenzyme A[0], HMG-CoA[0], 3-Hydroxy-3-methylglutaryl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], (S)-3-hydroxy-3-methylglutaryl-coenzyme A[0], HMG-coenzyme A[0], (3S)-3-hydroxy-3-methylglutaryl-coenzyme A[0], (S)-3-hydroxy-3-methylglutaryl-CoA[0]
Data Sources: [0] CHEBI:15467 via ChEBI
Linkouts
Data Sources: [0] CHEBI:15467 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism