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CHEBI:136579 - cholesterol sulfate(1−)
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ChEBI Name
cholesterol sulfate(1−)
ChEBI ID
CHEBI:136579
ChEBI ASCII Name
cholesterol sulfate(1-)
Definition
A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of cholesterol sulfate; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C27H45O4S
Net Charge
-1
Average Mass
465.711
Monoisotopic Mass
465.30440
InChI
InChI=1S/C27H46O4S/c1-
18(2)
7-
6-
8-
19(3)
23-
11-
12-
24-
22-
10-
9-
20-
17-
21(31-
32(28,29)
30)
13-
15-
26(20,4)
25(22)
14-
16-
27(23,24)
5/h9,18-
19,21-
25H,6-
8,10-
17H2,1-
5H3,(H,28,29,30)
/p-
1/t19-
,21+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
BHYOQNUELFTYRT-DPAQBDIFSA-M
SMILES
O(S([O-
]
)
(=O)
=O)
[C@@H]
1CC=2[C@]
([C@]
3(CC[C@]
4([C@]
([C@@]
3(CC2)
[H]
)
(CC[C@@]
4([C@H]
(C)
CCCC(C)
C)
[H]
)
[H]
)
C)
[H]
)
(C)
CC1
ChEBI Ontology
Outgoing
cholesterol sulfate(1−) (
CHEBI:136579
)
is a
cholestane conjugate (
CHEBI:167105
)
cholesterol sulfate(1−) (
CHEBI:136579
)
is a
steroid sulfate oxoanion (
CHEBI:59696
)
cholesterol sulfate(1−) (
CHEBI:136579
)
is conjugate base of
cholesterol sulfate (
CHEBI:41321
)
Incoming
cholesterol sulfate (
CHEBI:41321
)
is conjugate acid of
cholesterol sulfate(1−) (
CHEBI:136579
)
IUPAC Name
cholest-5-en-3β-yl sulfate
Synonyms
Sources
(3β)-cholest-5-en-3-yl sulfate
IUPAC
cholesterol sulfate
UniProt
Citation
Type
Source
12145317
PubMed citation
SUBMITTER
Last Modified
16 June 2017