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> Main
CHEBI:16581 - pregnenolone
Main
ChEBI Ontology
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Reactions
Pathways
Models
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
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Wikipedia
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Read full article at Wikipedia
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-Δ
5
-steroid (
CHEBI:1722
)
pregnenolone (
CHEBI:16581
)
is a
C
21
-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