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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:20000 - 3-dehydroteasterone
Main
ChEBI Ontology
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ChEBI Name
3-dehydroteasterone
ChEBI ID
CHEBI:20000
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H46O4
Net Charge
0
Average Mass
446.66244
Monoisotopic Mass
446.33961
InChI
InChI=1S/C28H46O4/c1-
15(2)
16(3)
25(31)
26(32)
17(4)
20-
7-
8-
21-
19-
14-
24(30)
23-
13-
18(29)
9-
11-
28(23,6)
22(19)
10-
12-
27(20,21)
5/h15-
17,19-
23,25-
26,31-
32H,7-
14H2,1-
6H3/t16-
,17-
,19-
,20+,21-
,22-
,23+,25+,26+,27+,28+/m0/s1
InChIKey
SVBMASFUJDIDJC-XFJIFGBKSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
CC(=O)
[C@@]
4([H]
)
CC(=O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
[C@@H]
(O)
[C@H]
(O)
[C@@H]
(C)
C(C)
C
ChEBI Ontology
Outgoing
3-dehydroteasterone (
CHEBI:20000
)
has functional parent
teasterone (
CHEBI:26863
)
3-dehydroteasterone (
CHEBI:20000
)
is a
(22
S
)-22-hydroxy C
28
-steroid (
CHEBI:188922
)
3-dehydroteasterone (
CHEBI:20000
)
is a
22-hydroxy steroid (
CHEBI:36863
)
3-dehydroteasterone (
CHEBI:20000
)
is a
23-hydroxy steroid (
CHEBI:36866
)
3-dehydroteasterone (
CHEBI:20000
)
is a
3-oxo-5α-steroid (
CHEBI:13601
)
3-dehydroteasterone (
CHEBI:20000
)
is a
6-oxo steroid (
CHEBI:36883
)
IUPAC Name
(22
R
,23
R
)-22,23-dihydroxy-5α-campestane-3,6-dione
Synonyms
Sources
(22
R
,23
R
,24
S
)-22,23-dihydroxy-5α-ergostane-3,6-dione
IUPAC
3,6-dioxo-Campestan-22R,23R-diol
LIPID MAPS
3-dehydroteasterone
UniProt
Manual Xrefs
Databases
C00007262
KNApSAcK
C15792
KEGG COMPOUND
LMST01030131
LIPID MAPS
View more database links
Registry Number
Type
Source
3630917
Beilstein Registry Number
Beilstein
Last Modified
05 January 2022