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

ChEBI IDCHEBI:50170
ChEBI Name3-hydroxy-5α-pregnan-20-one
Stars
ASCII Name3-hydroxy-5alpha-pregnan-20-one
Last Modified23 June 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])C(C)=O)[C@@]1(C)CCC(O)C2
InChIInChI=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
InChIKeyAURFZBICLPNKBZ-JJYAXCJVSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 NumbersSources
Beilstein:4785658Beilstein