CHEBI:79885 - 12alpha-Hydroxy-5beta-pregnane-3,20-dione

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ChEBI Name 12alpha-Hydroxy-5beta-pregnane-3,20-dione
ChEBI ID CHEBI:79885
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H32O3
Net Charge 0
Average Mass 332.47700
Monoisotopic Mass 332.23514
InChI InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-19,24H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey WOUWWZYKGYDVMI-PHFNMVBRSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEBI Ontology
Outgoing 12alpha-Hydroxy-5beta-pregnane-3,20-dione (CHEBI:79885) is a 3-oxo-5β-steroid (CHEBI:1624)
Manual Xref Database
C15384 KEGG COMPOUND
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Last Modified
26 April 2017