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Universal:mincyc

minocycline zwitterion

Default Component
mincyc:0
  • minocycline
  • Charge: 0
  • Formula: C23H27N3O7
  • minocycline zwitterion
  • Type: Small Molecule
  • InChiKey: DYKFCLLONBREIL-KVUCHLLUSA-N
  • View on ChEBI
  • minocycline
  • Type: Small Molecule
  • InChiKey: DYKFCLLONBREIL-KVUCHLLUSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 457.4764[0], 457.4765[1], 456.0[2]
  • SMILES: [H][C@@]12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2[0], [H][C@@]12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2[1], CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O[2]
  • Names: minocycline[0,1], (1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate[0], Minocycline[1,2], (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE[1], (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide[1], minociclina[1], minociclinum[1], 7-Dimethylamino-6-demethyl-6-deoxytetracycline[1], minomycin[1]
Data Sources: [0] CHEBI:77906 via ChEBI, [1] CHEBI:50694 via ChEBI, [2] cpd04461 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:77906 via ChEBI, [1] CHEBI:50694 via ChEBI, [2] cpd04461 via ModelSEED
Alternative Component
mincyc:-1
  • minocycline(1-)
  • Charge: -1
  • Formula: C23H26N3O7
CHEBI:71337
  • minocycline(1-)
  • Type: Small Molecule
  • InChiKey: DYKFCLLONBREIL-KVUCHLLUSA-M
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 456.4684[0]
  • SMILES: [H][C@@]12Cc3c(N(C)C)ccc(O)c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@]1([H])C2[0]
  • Names: minocycline anion[0], (1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,7-dihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate[0]
Data Sources: [0] CHEBI:71337 via ChEBI
Linkouts
Data Sources: [0] CHEBI:71337 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism