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CHEBI:16581 - pregnenolone

ChEBI IDCHEBI:16581
ChEBI Namepregnenolone
Stars
DefinitionA 20-oxo steroid that is pregn-5-ene substituted by a β-hydroxy group at position 3 and an oxo group at position 20.
Secondary ChEBI IDsCHEBI:8388, CHEBI:14881, CHEBI:26241, CHEBI:45027, CHEBI:86573
Last Modified10 April 2018
DownloadsMolfile
FormulaC21H32O2
Net Charge0
Average Mass316.485
Monoisotopic Mass316.24023
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=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
InChIKeyORNBQBCIOKFOEO-QGVNFLHTSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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)
7-ketopregnenolone (CHEBI:183807) 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)
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  Source
PregnenoloneKEGG COMPOUND
5-Pregnen-3beta-ol-20-oneKEGG COMPOUND
3beta-Hydroxypregn-5-en-20-oneKEGG COMPOUND
(3BETA)-3-HYDROXYPREGN-5-EN-20-ONEPDBeChem
UniProt Name  Source
pregnenoloneUniProt
Manual XrefsDatabases
C01953KEGG COMPOUND
PLOPDBeChem
LMST02030088LIPID MAPS
DB02789DrugBank
PregnenoloneWikipedia
HMDB0000253HMDB
D00143KEGG DRUG
LSM-5550LINCS
Registry NumbersSources
Beilstein:2059026Beilstein
Reaxys:2059026Reaxys
CAS:145-13-1KEGG COMPOUND
CAS:145-13-1ChemIDplus
Citations