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> Main
CHEBI:28043 - 21-hydroxypregnenolone
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ChEBI Ontology
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ChEBI Name
21-hydroxypregnenolone
ChEBI ID
CHEBI:28043
Definition
A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1299, CHEBI:19802
Supplier Information
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Formula
C21H32O3
Net Charge
0
Average Mass
332.47698
Monoisotopic Mass
332.23514
InChI
InChI=1S/C21H32O3/c1-
20-
9-
7-
14(23)
11-
13(20)
3-
4-
15-
16-
5-
6-
18(19(24)
12-
22)
21(16,2)
10-
8-
17(15)
20/h3,14-
18,22-
23H,4-
12H2,1-
2H3/t14-
,15-
,16-
,17-
,18+,20-
,21-
/m0/s1
InChIKey
MOIQRAOBRXUWGN-WPWXJNKXSA-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(=O)CO
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
21-hydroxypregnenolone (
CHEBI:28043
)
has role
mouse metabolite (
CHEBI:75771
)
21-hydroxypregnenolone (
CHEBI:28043
)
is a
21-hydroxy steroid (
CHEBI:35344
)
21-hydroxypregnenolone (
CHEBI:28043
)
is a
hydroxypregnenolone (
CHEBI:36730
)
21-hydroxypregnenolone (
CHEBI:28043
)
is a
primary α-hydroxy ketone (
CHEBI:139590
)
Incoming
21-hydroxypregnenolone disulfate (
CHEBI:133695
)
has functional parent
21-hydroxypregnenolone (
CHEBI:28043
)
IUPAC Name
3β,21-dihydroxypregn-5-en-20-one
Synonyms
Sources
(3β)-3,21-dihydroxypregn-5-en-20-one
ChemIDplus
21-Hydroxypregnenolone
KEGG COMPOUND
Manual Xref
Database
C05485
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1164-98-3
CAS Registry Number
ChemIDplus
2627411
Beilstein Registry Number
Beilstein
Last Modified
06 February 2018