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ChEBI
> Main
CHEBI:35419 - 26-hydroxycholesterol 3-sulfate
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ChEBI Ontology
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ChEBI Name
26-hydroxycholesterol 3-sulfate
ChEBI ID
CHEBI:35419
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H46O5S
Net Charge
0
Average Mass
482.71714
Monoisotopic Mass
482.30660
InChI
InChI=1S/C27H46O5S/c1-
18(17-
28)
6-
5-
7-
19(2)
23-
10-
11-
24-
22-
9-
8-
20-
16-
21(32-
33(29,30)
31)
12-
14-
26(20,3)
25(22)
13-
15-
27(23,24)
4/h8,18-
19,21-
25,28H,5-
7,9-
17H2,1-
4H3,(H,29,30,31)
/t18?,19-
,21+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
QCSROMOVNFYJNF-CCDZVGGQSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
CC=C4C[C@H]
(CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
OS(O)
(=O)
=O)
[C@H]
(C)
CCCC(C)
CO
ChEBI Ontology
Outgoing
26-hydroxycholesterol 3-sulfate (
CHEBI:35419
)
has functional parent
26-hydroxycholesterol (
CHEBI:17703
)
26-hydroxycholesterol 3-sulfate (
CHEBI:35419
)
is a
steroid sulfate (
CHEBI:16158
)
IUPAC Name
26-hydroxycholest-5-en-3β-yl hydrogen sulfate
Last Modified
26 March 2007