CHEBI:1689 - 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one
ChEBI ID CHEBI:1689
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H34O4
Net Charge 0
Average Mass 350.493
Monoisotopic Mass 350.24571
InChI InChI=1S/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,18-19,22-23,25H,3-11H2,1-2H3/t12?,13-,14?,15?,16?,18?,19?,20?,21?/m1/s1
InChIKey NGYONPIMXAHRCT-GSAWHMRWSA-N
SMILES CC12CC(=O)C3C(CCC4C[C@H](O)CCC34C)C1CCC2C(O)CO
ChEBI Ontology
Outgoing 3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one (CHEBI:1689) is a 21-hydroxy steroid (CHEBI:35344)
Synonym Source
3alpha,20alpha,21-Trihydroxy-5beta-pregnane-11-one KEGG COMPOUND
Manual Xref Database
C05483 KEGG COMPOUND
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Last Modified
28 July 2014