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> Main
CHEBI:16985 - 5β-androstane-3,17-dione
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ChEBI Ontology
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ChEBI Name
5β-androstane-3,17-dione
ChEBI ID
CHEBI:16985
ChEBI ASCII Name
5beta-androstane-3,17-dione
Definition
An androstane-3,17-dione with a 5β-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2145, CHEBI:40692, CHEBI:12176, CHEBI:20660
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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+/m1/s1
InChIKey
RAJWOBJTTGJROA-QJISAEMRSA-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
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
5β-androstane-3,17-dione (
CHEBI:16985
)
has role
mouse metabolite (
CHEBI:75771
)
5β-androstane-3,17-dione (
CHEBI:16985
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
5β-androstane-3,17-dione (
CHEBI:16985
)
is a
androstane-3,17-dione (
CHEBI:22542
)
IUPAC Name
5β-androstane-3,17-dione
Synonyms
Sources
5beta-androstane-3,17-dione
ChEBI
5beta-Androstane-3,17-dione
KEGG COMPOUND
5β-androstane-3,17-dione
UniProt
Etiocholane-3,17-dione
HMDB
Etiocholanedione
ChemIDplus
Manual Xrefs
Databases
5-BETA-ANDROSTANE-317-DIONE
MetaCyc
ANO
PDBeChem
C03772
KEGG COMPOUND
DB07375
DrugBank
HMDB0003769
HMDB
LMST02020058
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1229-12-5
CAS Registry Number
KEGG COMPOUND
1229-12-5
CAS Registry Number
ChemIDplus
2218897
Reaxys Registry Number
Reaxys
Last Modified
18 October 2017