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> Main
CHEBI:36713 - 5α-androstane-3α,17β-diol
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ChEBI Name
5α-androstane-3α,17β-diol
ChEBI ID
CHEBI:36713
ChEBI ASCII Name
5alpha-androstane-3alpha,17beta-diol
Definition
The 5α-stereoisomer of androstane-3α,17β-diol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H32O2
Net Charge
0
Average Mass
292.45618
Monoisotopic Mass
292.24023
InChI
InChI=1S/C19H32O2/c1-
18-
9-
7-
13(20)
11-
12(18)
3-
4-
14-
15-
5-
6-
17(21)
19(15,2)
10-
8-
16(14)
18/h12-
17,20-
21H,3-
11H2,1-
2H3/t12-
,13+,14-
,15-
,16-
,17-
,18-
,19-
/m0/s1
InChIKey
CBMYJHIOYJEBSB-KHOSGYARSA-N
SMILES
[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2
Metabolite of Species
Details
Daphnia magna
(NCBI:txid35525)
See: Changes in the Metabolic Elimination Profile of Testosterone Following Exposure of the Crustacean Daphnia magna to TributyltinGerald A. LeBlanc and James B. McLachlanEcotoxicology and Environmental Safety 45, 296-303 (2000)
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
Daphnia magna metabolite
A
Daphnia
metabolite produced by the species
Daphnia magna
.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5α-androstane-3α,17β-diol (
CHEBI:36713
)
has role
Daphnia magna
metabolite (
CHEBI:83056
)
5α-androstane-3α,17β-diol (
CHEBI:36713
)
has role
human metabolite (
CHEBI:77746
)
5α-androstane-3α,17β-diol (
CHEBI:36713
)
is a
androstane-3α,17β-diol (
CHEBI:18011
)
Incoming
5α-androstane-3α,17β-diol 17-glucosiduronic acid (
CHEBI:133517
)
has functional parent
5α-androstane-3α,17β-diol (
CHEBI:36713
)
5α-androstane-3α-glcosyl-17β-diol (
CHEBI:83023
)
has functional parent
5α-androstane-3α,17β-diol (
CHEBI:36713
)
5α-androstane-3β,17β-diol 3-
O
-(β-
D
-glucuronide) (
CHEBI:88730
)
has functional parent
5α-androstane-3α,17β-diol (
CHEBI:36713
)
IUPAC Name
5α-androstane-3α,17β-diol
Synonyms
Sources
(3α,5α,17β)-androstane-3,17-diol
NIST Chemistry WebBook
3α,17β-dihydroxy-5α-androstane
NIST Chemistry WebBook
5α-androstane-3α,17β-diol
UniProt
hombreol
ChemIDplus
Manual Xrefs
Databases
15039
ChemSpider
3%CE%B1-Androstanediol
Wikipedia
HMDB0000495
HMDB
LMST02020052
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1852-53-5
CAS Registry Number
ChemIDplus
1852-53-5
CAS Registry Number
NIST Chemistry WebBook
2694353
Beilstein Registry Number
ChemIDplus
Citation
Type
Source
11500254
PubMed citation
Europe PMC
Last Modified
14 September 2021