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> Main
CHEBI:16229 - 3β-hydroxy-5β-pregnan-20-one
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ChEBI Ontology
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ChEBI Name
3β-hydroxy-5β-pregnan-20-one
ChEBI ID
CHEBI:16229
ChEBI ASCII Name
3beta-hydroxy-5beta-pregnan-20-one
Definition
The 3β-stereoisomer of 3-hydroxy-5β-pregnan-20-one.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1721, CHEBI:11910
Supplier Information
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Formula
C21H34O2
Net Charge
0
Average Mass
318.49346
Monoisotopic Mass
318.25588
InChI
InChI=1S/C21H34O2/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/h14-
19,23H,4-
12H2,1-
3H3/t14-
,15+,16+,17-
,18+,19+,20+,21-
/m1/s1
InChIKey
AURFZBICLPNKBZ-GRWISUQFSA-N
SMILES
[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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
3β-hydroxy-5β-pregnan-20-one (
CHEBI:16229
)
has role
human metabolite (
CHEBI:77746
)
3β-hydroxy-5β-pregnan-20-one (
CHEBI:16229
)
has role
mouse metabolite (
CHEBI:75771
)
3β-hydroxy-5β-pregnan-20-one (
CHEBI:16229
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
3β-hydroxy-5β-pregnan-20-one (
CHEBI:16229
)
is a
3-hydroxy-5β-pregnan-20-one (
CHEBI:50171
)
Incoming
5β-pregnane-3β,20α-diol (
CHEBI:156526
)
has functional parent
3β-hydroxy-5β-pregnan-20-one (
CHEBI:16229
)
IUPAC Name
3β-hydroxy-5β-pregnan-20-one
Synonyms
Sources
(3β,5β)-3-hydroxypregnan-20-one
NIST Chemistry WebBook
3beta-Hydroxy-5beta-pregnane-20-one
KEGG COMPOUND
3β-hydroxy-5β-pregnane-20-one
UniProt
3β-hydroxy-5β-tetrahydroprogesterone
NIST Chemistry WebBook
epipregnanolone
NIST Chemistry WebBook
Manual Xrefs
Databases
C11825
KEGG COMPOUND
HMDB0001471
HMDB
LMST02030185
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
128-21-2
CAS Registry Number
NIST Chemistry WebBook
128-21-2
CAS Registry Number
ChemIDplus
3035289
Reaxys Registry Number
Reaxys
3035289
Beilstein Registry Number
Beilstein
Citations
Types
Sources
1265794
PubMed citation
Europe PMC
17583491
PubMed citation
Europe PMC
347637
PubMed citation
Europe PMC
Last Modified
18 October 2017