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> Main
CHEBI:15994 - 5α-androstane-3,17-dione
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ChEBI Ontology
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ChEBI Name
5α-androstane-3,17-dione
ChEBI ID
CHEBI:15994
ChEBI ASCII Name
5alpha-androstane-3,17-dione
Definition
The 5α-stereoisomer of androstane-3,17-dione.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12168, CHEBI:40140, CHEBI:2137, CHEBI:20639
Supplier Information
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Formula
C19H28O2
Net Charge
0
Average Mass
288.42442
Monoisotopic Mass
288.20893
InChI
InChI=1S/C19H28O2/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/h12,14-
16H,3-
11H2,1-
2H3/t12-
,14-
,15-
,16-
,18-
,19-
/m0/s1
InChIKey
RAJWOBJTTGJROA-WZNAKSSCSA-N
SMILES
[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
androstane-3,17-dione
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5α-androstane-3,17-dione (
CHEBI:15994
)
has role
mouse metabolite (
CHEBI:75771
)
5α-androstane-3,17-dione (
CHEBI:15994
)
is a
3-oxo-5α-steroid (
CHEBI:13601
)
5α-androstane-3,17-dione (
CHEBI:15994
)
is a
androstane-3,17-dione (
CHEBI:22542
)
Synonyms
Sources
5α-androstan-3,17-dione
UniProt
5alpha-androstane-3,17-dione
ChEBI
5alpha-Androstane-3,17-dione
KEGG COMPOUND
Androstanedione
KEGG COMPOUND
Manual Xrefs
Databases
5SD
PDBeChem
C00674
KEGG COMPOUND
CPD-342
MetaCyc
DB01561
DrugBank
HMDB0000899
HMDB
LMST02020085
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2218898
Reaxys Registry Number
Reaxys
846-46-8
CAS Registry Number
KEGG COMPOUND
846-46-8
CAS Registry Number
NIST Chemistry WebBook
846-46-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22064602
PubMed citation
Europe PMC
3702464
PubMed citation
Europe PMC
Last Modified
16 September 2021