CHEBI:50170 - 3-hydroxy-5α-pregnan-20-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-5α-pregnan-20-one
ChEBI ID CHEBI:50170
ChEBI ASCII Name 3-hydroxy-5alpha-pregnan-20-one
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H34O2
Net Charge 0
Average Mass 318.49346
Monoisotopic Mass 318.25588
InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey AURFZBICLPNKBZ-JJYAXCJVSA-N
SMILES [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(O)C2
ChEBI Ontology
Outgoing 3-hydroxy-5α-pregnan-20-one (CHEBI:50170) has parent hydride 5α-pregnane (CHEBI:20656)
3-hydroxy-5α-pregnan-20-one (CHEBI:50170) is a 3-hydroxypregnan-20-one (CHEBI:50168)
Incoming 3β-hydroxy-5α-pregnan-20-one (CHEBI:11909) is a 3-hydroxy-5α-pregnan-20-one (CHEBI:50170)
brexanolone (CHEBI:50169) is a 3-hydroxy-5α-pregnan-20-one (CHEBI:50170)
Registry Number Type Source
4785658 Beilstein Registry Number Beilstein
Last Modified
23 June 2008