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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17938 - 5α-ergosta-7,22-diene-3β,5-diol
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ChEBI Ontology
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ChEBI Name
5α-ergosta-7,22-diene-3β,5-diol
ChEBI ID
CHEBI:17938
ChEBI ASCII Name
5alpha-ergosta-7,22-diene-3beta,5-diol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:12174, CHEBI:2143
Supplier Information
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Formula
C28H46O2
Net Charge
0
Average Mass
414.66364
Monoisotopic Mass
414.34978
InChI
InChI=1S/C28H46O2/c1-
18(2)
19(3)
7-
8-
20(4)
23-
9-
10-
24-
22-
12-
16-
28(30)
17-
21(29)
11-
15-
27(28,6)
25(22)
13-
14-
26(23,24)
5/h7-
8,12,18-
21,23-
25,29-
30H,9-
11,13-
17H2,1-
6H3/b8-
7+/t19-
,20+,21-
,23+,24-
,25-
,26+,27+,28+/m0/s1
InChIKey
KKCUYJKFHVZXJO-AWKCEKCTSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
C3=CC[C@@]
4(O)
C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
\C=C\[C@H]
(C)
C(C)
C
ChEBI Ontology
Outgoing
5α-ergosta-7,22-diene-3β,5-diol (
CHEBI:17938
)
has parent hydride
5α-ergostane (
CHEBI:20652
)
5α-ergosta-7,22-diene-3β,5-diol (
CHEBI:17938
)
is a
3β-sterol (
CHEBI:35348
)
5α-ergosta-7,22-diene-3β,5-diol (
CHEBI:17938
)
is a
5α-hydroxy steroid (
CHEBI:38194
)
IUPAC Name
5α-ergosta-7,22-diene-3β,5-diol
Synonyms
Sources
5alpha-Ergosta-7,22-diene-3beta,5-diol
KEGG COMPOUND
5α-ergosta-7,22-diene-3β,5-diol
UniProt
Manual Xref
Database
C04416
KEGG COMPOUND
View more database links
Last Modified
16 November 2017