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ChEBI
> Main
CHEBI:15690 - 20-hydroxy-3-oxopregn-4-en-21-al
Main
ChEBI Ontology
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ChEBI Name
20-hydroxy-3-oxopregn-4-en-21-al
ChEBI ID
CHEBI:15690
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1290, CHEBI:11659, CHEBI:19797
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Formula
C21H30O3
Net Charge
0
Average Mass
330.46110
Monoisotopic Mass
330.21949
InChI
InChI=1S/C21H30O3/c1-
20-
9-
7-
14(23)
11-
13(20)
3-
4-
15-
16-
5-
6-
18(19(24)
12-
22)
21(16,2)
10-
8-
17(15)
20/h11-
12,15-
19,24H,3-
10H2,1-
2H3/t15-
,16-
,17-
,18+,19?,20-
,21-
/m0/s1
InChIKey
HIXLXYQKUSOMDM-FYGMKCHKSA-N
SMILES
[H]C(=O)C(O)[C@H]1CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
has parent hydride
pregnane (
CHEBI:8386
)
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
is a
20-hydroxy steroid (
CHEBI:36854
)
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
is a
21-oxo steroid (
CHEBI:36886
)
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
is a
C
21
-steroid (
CHEBI:61313
)
20-hydroxy-3-oxopregn-4-en-21-al (
CHEBI:15690
)
is a
steroid aldehyde (
CHEBI:131565
)
IUPAC Name
20-hydroxy-3-oxopregn-4-en-21-al
Synonyms
Sources
20-Hydroxy-3-oxopregn-4-en-21-al
KEGG COMPOUND
20-hydroxy-3-oxopregn-4-en-21-al
UniProt
Manual Xref
Database
C04108
KEGG COMPOUND
View more database links
Last Modified
13 November 2017