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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76592 - (25
R
)-7α,26-dihydroxycholesterol
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ChEBI Ontology
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ChEBI Name
(25
R
)-7α,26-dihydroxycholesterol
ChEBI ID
CHEBI:76592
ChEBI ASCII Name
(25R)-7alpha,26-dihydroxycholesterol
Definition
A 7α,26-dihydroxycholesterol that has
R
configuration at position 25.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C27H46O3
Net Charge
0
Average Mass
418.65230
Monoisotopic Mass
418.34470
InChI
InChI=1S/C27H46O3/c1-
17(16-
28)
6-
5-
7-
18(2)
21-
8-
9-
22-
25-
23(11-
13-
27(21,22)
4)
26(3)
12-
10-
20(29)
14-
19(26)
15-
24(25)
30/h15,17-
18,20-
25,28-
30H,5-
14,16H2,1-
4H3/t17-
,18-
,20+,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
RXMHNAKZMGJANZ-GNENNHQYSA-N
SMILES
C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
7alpha,26-dihydroxycholesterol
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(25
R
)-7α,26-dihydroxycholesterol (
CHEBI:76592
)
is a
7α,26-dihydroxycholesterol (
CHEBI:18431
)
IUPAC Name
(25
R
)-cholest-5-ene-3β,7α,26-triol
Synonyms
Sources
(25
R
)-cholest-5-en-3β,7α,26-triol
UniProt
(3β,7α,25
R
)-cholest-5-ene-3,7,26-triol
ChEBI
Registry Number
Type
Source
8369973
Reaxys Registry Number
Reaxys
Last Modified
25 April 2017