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CHEBI:50168 - 3-hydroxypregnan-20-one

ChEBI IDCHEBI:50168
ChEBI Name3-hydroxypregnan-20-one
Stars
DefinitionA C21-steroid that is pregnane substituted by an oxo group at position 20 and a hydroxy group at position 3.
Last Modified10 February 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@@]12CCC3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])C(C)=O
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-SRJHXTLLSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypregnan-20-one (CHEBI:50168) has parent hydride pregnane (CHEBI:8386)
3-hydroxypregnan-20-one (CHEBI:50168) is a 20-oxo steroid (CHEBI:36885)
3-hydroxypregnan-20-one (CHEBI:50168) is a 3-hydroxy steroid (CHEBI:36834)
3-hydroxypregnan-20-one (CHEBI:50168) is a C21-steroid (CHEBI:61313)
Incoming Relation(s)
3-hydroxy-5α-pregnan-20-one (CHEBI:50170) is a 3-hydroxypregnan-20-one (CHEBI:50168)
3-hydroxy-5β-pregnan-20-one (CHEBI:50171) is a 3-hydroxypregnan-20-one (CHEBI:50168)
IUPAC Name 
3-hydroxypregnan-20-one
Registry NumbersSources
Beilstein:10478053Beilstein