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> Main
CHEBI:27832 - 17α,21-dihydroxypregnenolone
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ChEBI Ontology
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ChEBI Name
17α,21-dihydroxypregnenolone
ChEBI ID
CHEBI:27832
ChEBI ASCII Name
17alpha,21-dihydroxypregnenolone
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:786, CHEBI:19170
Supplier Information
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Molfile
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Molfile
Formula
C21H32O4
Net Charge
0
Average Mass
348.47638
Monoisotopic Mass
348.23006
InChI
InChI=1S/C21H32O4/c1-
19-
8-
5-
14(23)
11-
13(19)
3-
4-
15-
16(19)
6-
9-
20(2)
17(15)
7-
10-
21(20,25)
18(24)
12-
22/h3,14-
17,22-
23,25H,4-
12H2,1-
2H3/t14-
,15+,16-
,17-
,19-
,20-
,21-
/m0/s1
InChIKey
JNHJGXQUDOYJAK-IYRCEVNGSA-N
SMILES
[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)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
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
has functional parent
pregnenolone (
CHEBI:16581
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
has role
mouse metabolite (
CHEBI:75771
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
is a
21-hydroxy steroid (
CHEBI:35344
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
is a
primary α-hydroxy ketone (
CHEBI:139590
)
17α,21-dihydroxypregnenolone (
CHEBI:27832
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
3β,17,21-trihydroxypregn-5-en-20-one
Synonym
Source
17alpha,21-Dihydroxypregnenolone
KEGG COMPOUND
Manual Xref
Database
C05487
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1167-48-2
CAS Registry Number
ChemIDplus
3218570
Beilstein Registry Number
Beilstein
Last Modified
06 February 2018