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Universal:dhcholn

3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate

Default Component
dhcholn:-1
  • 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
  • Charge: -1
  • Formula: C24H37O5
CHEBI:11893
  • 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
  • Type: Small Molecule
  • InChiKey: RHCPKKNRWFXMAT-RRWYKFPJSA-M
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 405.54758[0], 405.0[1]
  • SMILES: [H][C@]12CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2[0], C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C[1]
  • Names: 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate[0,1], 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate[0,1], 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate[1]
Data Sources: [0] CHEBI:11893 via ChEBI, [1] cpd02829 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:11893 via ChEBI, [1] cpd02829 via ModelSEED
Alternative Component
dhcholn:0
  • 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid
  • Charge: 0
  • Formula: C24H38O5
CHEBI:16390
  • 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid
  • Type: Small Molecule
  • InChiKey: RHCPKKNRWFXMAT-RRWYKFPJSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 406.55552[0]
  • SMILES: [H][C@]12CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2[0]
  • Names: 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate[0], 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid[0], 7-ketodeoxycholic acid[0], 3alpha,12alpha-diol-7-one-5beta-cholanoic acid[0], 3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoic acid[0], 7-oxodeoxycholic acid[0], (3alpha,5beta,12alpha)-3,12-dihydroxy-7-oxocholan-24-oic acid[0]
Data Sources: [0] CHEBI:16390 via ChEBI
Linkouts
Data Sources: [0] CHEBI:16390 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism