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CHEBI:1712 - 3α-hydroxy-5β-pregnan-20-one

Default Structure
ChEBI IDCHEBI:1712
ChEBI Name3α-hydroxy-5β-pregnan-20-one
Stars
ASCII Name3alpha-hydroxy-5beta-pregnan-20-one
DefinitionThe 3α-stereoisomer of 3-hydroxy-5β-pregnan-20-one.
Secondary ChEBI IDCHEBI:88767
Last Modified6 October 2021
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)CC[C@@H](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-/m1/s1
InChIKeyAURFZBICLPNKBZ-YZRLXODZSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (15935549)
blood (UBERON:0000178) PubMed (16720657)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) has role human metabolite (CHEBI:77746)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) has role intravenous anaesthetic (CHEBI:38877)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) has role sedative (CHEBI:35717)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) is a 3α-hydroxy steroid (CHEBI:36835)
IUPAC Name 
3α-hydroxy-5β-pregnan-20-one
INNs  Source
eltanolonaChemIDplus
eltanoloneChemIDplus
eltanolonumChemIDplus
Synonyms  Source
1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethanoneIUPAC
3alpha-Hydroxy-5beta-pregnane-20-oneKEGG COMPOUND
(3α,5β)-3-hydroxypregnan-20-oneNIST Chemistry WebBook
pregnan-3α-ol-20-oneNIST Chemistry WebBook
pregnanoloneChemIDplus
UniProt Name  Source
3α-hydroxy-5β-pregnan-20-oneUniProt
Manual XrefsDatabases
29132ChemSpider
997DrugCentral
C05480KEGG COMPOUND
FDB024063FooDB
HMDB0006759HMDB
LMST02030175LIPID MAPS
P9NPDBeChem
PregnanoloneWikipedia
Registry NumbersSources
Reaxys:3211364Reaxys
CAS:128-20-1ChemIDplus
CAS:128-20-1NIST Chemistry WebBook
Citations