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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50421 - cyprinol
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ChEBI Ontology
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ChEBI Name
cyprinol
ChEBI ID
CHEBI:50421
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H48O5
Net Charge
0
Average Mass
452.66702
Monoisotopic Mass
452.35017
InChI
InChI=1S/C27H48O5/c1-
16(5-
4-
6-
17(14-
28)
15-
29)
20-
7-
8-
21-
25-
22(13-
24(32)
27(20,21)
3)
26(2)
10-
9-
19(30)
11-
18(26)
12-
23(25)
31/h16-
25,28-
32H,4-
15H2,1-
3H3/t16-
,18?,19-
,20-
,21+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
JNMALBXXJSWZQY-VKYZUIDCSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
[C@H]
(O)
CC4C[C@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
C[C@H]
(O)
[C@]
12C)
[C@H]
(C)
CCCC(CO)
CO
ChEBI Ontology
Outgoing
cyprinol (
CHEBI:50421
)
is a
bile alcohol (
CHEBI:50420
)
Incoming
5α-cyprinol (
CHEBI:50422
)
is a
cyprinol (
CHEBI:50421
)
5β-cyprinol (
CHEBI:37913
)
is a
cyprinol (
CHEBI:50421
)
IUPAC Name
cholestane-3α,7α,12α,26,27-pentol
Last Modified
11 August 2008