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CHEBI:85779 - 4β,7α-dihydroxycholesterol
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ChEBI Name
4β,7α-dihydroxycholesterol
ChEBI ID
CHEBI:85779
ChEBI ASCII Name
4beta,7alpha-dihydroxycholesterol
Definition
An oxysterol that is cholesterol carrying two additional hydroxy groups at the 4β and 7α positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
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Formula
C27H46O3
Net Charge
0
Average Mass
418.65230
Monoisotopic Mass
418.34470
InChI
InChI=1S/C27H46O3/c1-
16(2)
7-
6-
8-
17(3)
18-
9-
10-
19-
24-
20(11-
13-
26(18,19)
4)
27(5)
14-
12-
22(28)
25(30)
21(27)
15-
23(24)
29/h15-
20,22-
25,28-
30H,6-
14H2,1-
5H3/t17-
,18-
,19+,20+,22+,23-
,24+,25-
,26-
,27-
/m1/s1
InChIKey
NEITZYUKMAAGFE-DNPWHXEXSA-N
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
3β-sterol (
CHEBI:35348
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
4-hydroxy steroid (
CHEBI:62846
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
oxysterol (
CHEBI:53030
)
4β,7α-dihydroxycholesterol (
CHEBI:85779
)
is a
triol (
CHEBI:27136
)
IUPAC Name
cholest-5-en-3β,4β,7α-triol
Synonyms
Sources
(3β,4β,7α)-cholest-5-ene-3,4,7-triol
IUPAC
4β,7α-dihydroxycholesterol
UniProt
Registry Number
Type
Source
3220537
Reaxys Registry Number
Reaxys
Citation
Type
Source
12077124
PubMed citation
SUBMITTER
Last Modified
25 April 2017