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:CB1684326, eMolecules:531097, Selleckchem:pregnenolone, ZINC000003861150
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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 Waiting for Citations
Last Modified
10 April 2018