CHEBI:16581 - pregnenolone

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ChEBI Name pregnenolone
ChEBI ID CHEBI:16581
Definition A 20-oxo steroid that is pregn-5-ene substituted by a β-hydroxy group at position 3 and an oxo group at position 20.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14881, CHEBI:45027, CHEBI:8388, CHEBI:26241, CHEBI:86573
Supplier Information ChemicalBook:CB91236274, ZINC000005822376
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Formula C21H32O2
Net Charge 0
Average Mass 316.47760
Monoisotopic Mass 316.24023
InChI InChI=1S/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey ORNBQBCIOKFOEO-QGVNFLHTSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pregnenolone (CHEBI:16581) has parent hydride pregnane (CHEBI:8386)
pregnenolone (CHEBI:16581) has role human metabolite (CHEBI:77746)
pregnenolone (CHEBI:16581) has role mouse metabolite (CHEBI:75771)
pregnenolone (CHEBI:16581) is a 20-oxo steroid (CHEBI:36885)
pregnenolone (CHEBI:16581) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
pregnenolone (CHEBI:16581) is a C21-steroid (CHEBI:61313)
Incoming 11β,17α,21-trihydroxypregnenolone (CHEBI:27783) has functional parent pregnenolone (CHEBI:16581)
16,17-didehydropregnenolone (CHEBI:27486) has functional parent pregnenolone (CHEBI:16581)
17α,21-dihydroxypregnenolone (CHEBI:27832) has functional parent pregnenolone (CHEBI:16581)
7α-hydroxypregnenolone (CHEBI:81467) has functional parent pregnenolone (CHEBI:16581)
7β-hydroxypregnenolone (CHEBI:183806) has functional parent pregnenolone (CHEBI:16581)
7-ketopregnenolone (CHEBI:183807) has functional parent pregnenolone (CHEBI:16581)
hydroxypregnenolone (CHEBI:36730) has functional parent pregnenolone (CHEBI:16581)
pregnenolone 16α-carbonitrile (CHEBI:35591) has functional parent pregnenolone (CHEBI:16581)
pregnenolone 3-β-D-glucoside (CHEBI:145044) has functional parent pregnenolone (CHEBI:16581)
pregnenolone sulfate (CHEBI:35420) has functional parent pregnenolone (CHEBI:16581)
IUPAC Name
3β-hydroxypregn-5-en-20-one
Synonyms Sources
(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE PDBeChem
3beta-Hydroxypregn-5-en-20-one KEGG COMPOUND
5-Pregnen-3beta-ol-20-one KEGG COMPOUND
Pregnenolone KEGG COMPOUND
pregnenolone UniProt
Manual Xrefs Databases
C01953 KEGG COMPOUND
D00143 KEGG DRUG
DB02789 DrugBank
HMDB0000253 HMDB
LMST02030088 LIPID MAPS
LSM-5550 LINCS
PLO PDBeChem
Pregnenolone Wikipedia
View more database links
Registry Numbers Types Sources
145-13-1 CAS Registry Number KEGG COMPOUND
145-13-1 CAS Registry Number ChemIDplus
2059026 Beilstein Registry Number Beilstein
2059026 Reaxys Registry Number Reaxys
Citations Types Sources
23572091 PubMed citation Europe PMC
24385629 PubMed citation Europe PMC
Last Modified
10 April 2018