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CHEBI:86389 - 5β-dihydroaldosterone
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ChEBI Name
5β-dihydroaldosterone
ChEBI ID
CHEBI:86389
ChEBI ASCII Name
5beta-dihydroaldosterone
Definition
A 3-oxo-5β-steroid formed from aldosterone by reduction across the C4-C5 double bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Secondary ChEBI IDs
CHEBI:734
Supplier Information
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Formula
C21H30O5
Net Charge
0
Average Mass
362.45990
Monoisotopic Mass
362.20932
InChI
InChI=1S/C21H30O5/c1-
20-
7-
6-
13(24)
8-
12(20)
2-
3-
14-
15-
4-
5-
16(18(26)
10-
22)
21(15,11-
23)
9-
17(25)
19(14)
20/h11-
12,14-
17,19,22,25H,2-
10H2,1H3/t12-
,14+,15+,16-
,17+,19-
,20+,21-
/m1/s1
InChIKey
IIBOWSHDTFRYKU-HLQMJBJHSA-N
SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5β-dihydroaldosterone (
CHEBI:86389
)
has functional parent
aldosterone (
CHEBI:27584
)
5β-dihydroaldosterone (
CHEBI:86389
)
has parent hydride
pregnane (
CHEBI:8386
)
5β-dihydroaldosterone (
CHEBI:86389
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
5β-dihydroaldosterone (
CHEBI:86389
)
has role
mouse metabolite (
CHEBI:75771
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
11β-hydroxy steroid (
CHEBI:35346
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
18-oxo steroid (
CHEBI:36887
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
20-oxo steroid (
CHEBI:36885
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
primary α-hydroxy ketone (
CHEBI:139590
)
5β-dihydroaldosterone (
CHEBI:86389
)
is a
steroid aldehyde (
CHEBI:131565
)
IUPAC Name
(5β,11β)-11,21-dihydroxy-3,20-dioxopregnan-18-al
Synonyms
Sources
11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al
KEGG COMPOUND
11β,21-dihydroxy-3,20-oxo-5β-pregnan-18-al
ChEBI
5β-dihydroaldosterone
SUBMITTER
5β-dihydroaldosterone
UniProt
Manual Xrefs
Databases
C05473
KEGG COMPOUND
HMDB0006754
HMDB
LMST02030187
LIPID MAPS
View more database links
Registry Number
Type
Source
5303791
Reaxys Registry Number
Reaxys
Citation
Type
Source
21255593
PubMed citation
SUBMITTER
Last Modified
06 February 2018