CHEBI:771 - 16α-hydroxypregnenolone

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ChEBI Name 16α-hydroxypregnenolone
ChEBI ID CHEBI:771
ChEBI ASCII Name 16alpha-hydroxypregnenolone
Definition A hydroxypregnenolone that is pregnenolone substituted by a α-hydroxy group at position 16.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H32O3
Net Charge 0
Average Mass 332.47698
Monoisotopic Mass 332.23514
InChI InChI=1S/C21H32O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey ZAKJZPQDUPCXSD-YRWKUUEZSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@H](O)C[C@@]21[H])C(C)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 16α-hydroxypregnenolone (CHEBI:771) has role human metabolite (CHEBI:77746)
16α-hydroxypregnenolone (CHEBI:771) is a 16α-hydroxy steroid (CHEBI:16799)
16α-hydroxypregnenolone (CHEBI:771) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
16α-hydroxypregnenolone (CHEBI:771) is a hydroxypregnenolone (CHEBI:36730)
IUPAC Name
3β,16α-dihydroxypregn-5-en-20-one
Synonyms Sources
(3β,16α)-3,16-dihydroxypregn-5-en-20-one ChemIDplus
16-alpha-Hydroxypregnenolone KEGG COMPOUND
16alpha-Hydroxypregnenolone KEGG COMPOUND
Manual Xrefs Databases
C06390 KEGG COMPOUND
HMDB0000315 HMDB
View more database links
Registry Numbers Types Sources
3215687 Beilstein Registry Number Beilstein
3215687 Reaxys Registry Number Reaxys
520-88-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
159171 PubMed citation Europe PMC
5353659 PubMed citation Europe PMC
668632 PubMed citation Europe PMC
Last Modified
25 April 2017