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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28859 - 5α-androstane
Main
ChEBI Ontology
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ChEBI Name
5α-androstane
ChEBI ID
CHEBI:28859
ChEBI ASCII Name
5alpha-androstane
Definition
The 5α-stereoisomer of androstane.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20638, CHEBI:2712
Supplier Information
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Formula
C19H32
Net Charge
0
Average Mass
260.45738
Monoisotopic Mass
260.25040
InChI
InChI=1S/C19H32/c1-
18-
11-
5-
7-
16(18)
15-
9-
8-
14-
6-
3-
4-
12-
19(14,2)
17(15)
10-
13-
18/h14-
17H,3-
13H2,1-
2H3/t14-
,15+,16+,17+,18+,19+/m1/s1
InChIKey
QZLYKIGBANMMBK-UGCZWRCOSA-N
SMILES
[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5α-androstane (
CHEBI:28859
)
has role
human metabolite (
CHEBI:77746
)
5α-androstane (
CHEBI:28859
)
is a
androstane (
CHEBI:35509
)
Incoming
5α-androstane-3β,6α,17β-triol (
CHEBI:85809
)
has functional parent
5α-androstane (
CHEBI:28859
)
5α-androstane-3β,7α,17β-triol (
CHEBI:85807
)
has functional parent
5α-androstane (
CHEBI:28859
)
epiandrosterone (
CHEBI:541975
)
has functional parent
5α-androstane (
CHEBI:28859
)
vecuronium bromide (
CHEBI:9940
)
has functional parent
5α-androstane (
CHEBI:28859
)
17β-hydroxy-4α-methyl-5α-androstan-3-one (
CHEBI:79754
)
has parent hydride
5α-androstane (
CHEBI:28859
)
17β-hydroxy-5α-androst-1-en-3-one propionate (
CHEBI:79775
)
has parent hydride
5α-androstane (
CHEBI:28859
)
17β-hydroxy-5α-androstan-3-one (
CHEBI:16330
)
has parent hydride
5α-androstane (
CHEBI:28859
)
17β-hydroxy-5α-androstane acetate (
CHEBI:79766
)
has parent hydride
5α-androstane (
CHEBI:28859
)
18-hydroxy-5α-dihydrotestosterone (
CHEBI:137037
)
has parent hydride
5α-androstane (
CHEBI:28859
)
19-hydroxy-5α-dihydrotestosterone (
CHEBI:137031
)
has parent hydride
5α-androstane (
CHEBI:28859
)
19-oxo-5α-dihydrotestosterone (
CHEBI:137032
)
has parent hydride
5α-androstane (
CHEBI:28859
)
androsterone (
CHEBI:16032
)
has parent hydride
5α-androstane (
CHEBI:28859
)
androsterone sulfate (
CHEBI:83037
)
has parent hydride
5α-androstane (
CHEBI:28859
)
dutasteride (
CHEBI:521033
)
has parent hydride
5α-androstane (
CHEBI:28859
)
epiandrosterone sulfate (
CHEBI:83040
)
has parent hydride
5α-androstane (
CHEBI:28859
)
finasteride (
CHEBI:5062
)
has parent hydride
5α-androstane (
CHEBI:28859
)
rocuronium (
CHEBI:8884
)
has parent hydride
5α-androstane (
CHEBI:28859
)
rocuronium bromide (
CHEBI:8885
)
has parent hydride
5α-androstane (
CHEBI:28859
)
vecuronium (
CHEBI:9939
)
has parent hydride
5α-androstane (
CHEBI:28859
)
IUPAC Name
5α-androstane
Synonyms
Sources
5alpha-Androstane
KEGG COMPOUND
Androstane
KEGG COMPOUND
Manual Xrefs
Databases
C01554
KEGG COMPOUND
LMST02020056
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2043119
Beilstein Registry Number
Beilstein
438-22-2
CAS Registry Number
KEGG COMPOUND
438-22-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
13749674
PubMed citation
Europe PMC
Last Modified
07 August 2017