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

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ChEBI Name 3α-hydroxy-5β-pregnan-20-one
ChEBI ID CHEBI:1712
ChEBI ASCII Name 3alpha-hydroxy-5beta-pregnan-20-one
Definition The 3α-stereoisomer of 3-hydroxy-5β-pregnan-20-one.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:88767
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Formula C21H34O2
Net Charge 0
Average Mass 318.501
Monoisotopic Mass 318.25588
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-/m1/s1
InChIKey AURFZBICLPNKBZ-YZRLXODZSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): intravenous anaesthetic

sedative
A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
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ChEBI Ontology
Outgoing 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 3α-hydroxy steroid (CHEBI:36835)
3α-hydroxy-5β-pregnan-20-one (CHEBI:1712) is a 3-hydroxy-5β-pregnan-20-one (CHEBI:50171)
IUPAC Name
3α-hydroxy-5β-pregnan-20-one
INNs Sources
eltanolona ChemIDplus
eltanolone ChemIDplus
eltanolonum ChemIDplus
Synonyms Sources
(3α,5β)-3-hydroxypregnan-20-one NIST Chemistry WebBook
1-[(1S,3aS,3bR,5aR,7R,9aS,9bS,11aS)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethanone IUPAC
3α-hydroxy-5β-pregnan-20-one UniProt
3alpha-Hydroxy-5beta-pregnane-20-one KEGG COMPOUND
pregnan-3α-ol-20-one NIST Chemistry WebBook
pregnanolone ChemIDplus
Manual Xrefs Databases
29132 ChemSpider
997 DrugCentral
C05480 KEGG COMPOUND
FDB024063 FooDB
HMDB0006759 HMDB
LMST02030175 LIPID MAPS
P9N PDBeChem
Pregnanolone Wikipedia
View more database links
Registry Numbers Types Sources
128-20-1 CAS Registry Number ChemIDplus
128-20-1 CAS Registry Number NIST Chemistry WebBook
3211364 Beilstein Registry Number Beilstein
3211364 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10335907 PubMed citation Europe PMC
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Last Modified
06 October 2021