CHEBI:50169 - 3α-hydroxy-5α-pregnan-20-one

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ChEBI Name 3α-hydroxy-5α-pregnan-20-one
ChEBI ID CHEBI:50169
ChEBI ASCII Name 3alpha-hydroxy-5alpha-pregnan-20-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34347, CHEBI:32924
Supplier Information
Download Molfile XML SDF
Formula C21H34O2
Net Charge 0
Average Mass 318.49346
Monoisotopic Mass 318.256
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-SYBPFIFISA-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)CC[C@@H](O)C2
Metabolite of Species Details
Homo sapiens (NCBI:9606) See: DOI
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 3α-hydroxy-5α-pregnan-20-one (CHEBI:50169) has role human metabolite (CHEBI:77746)
3α-hydroxy-5α-pregnan-20-one (CHEBI:50169) is a 3-hydroxy-5α-pregnan-20-one (CHEBI:50170)
IUPAC Name
3α-hydroxy-5α-pregnan-20-one
Synonyms Sources
(3α,5α)-3-hydroxypregnan-20-one NIST Chemistry WebBook
3α-hydroxy-5α-pregnan-20-one UniProt
3alpha-OH DHP KEGG COMPOUND
allopregnan-3α-ol-20-one ChemIDplus
Database Link Database
LSM-19998 LINCS
View more database links
Registry Numbers Types Sources
3211363 Beilstein Registry Number ChemIDplus
516-54-1 CAS Registry Number NIST Chemistry WebBook
516-54-1 CAS Registry Number ChemIDplus
Last Modified
25 February 2016