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> Main
CHEBI:137062 - 7-oxo-5α-cholestan-3β-ol
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ChEBI Ontology
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ChEBI Name
7-oxo-5α-cholestan-3β-ol
ChEBI ID
CHEBI:137062
ChEBI ASCII Name
7-oxo-5alpha-cholestan-3beta-ol
Definition
A cholestanoid that is 5α-cholestan-3β-ol carrying an additional oxo substituent at position 7.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C27H46O2
Net Charge
0
Average Mass
402.654
Monoisotopic Mass
402.34978
InChI
InChI=1S/C27H46O2/c1-
17(2)
7-
6-
8-
18(3)
21-
9-
10-
22-
25-
23(12-
14-
27(21,22)
5)
26(4)
13-
11-
20(28)
15-
19(26)
16-
24(25)
29/h17-
23,25,28H,6-
16H2,1-
5H3/t18-
,19-
,20+,21-
,22+,23+,25+,26+,27-
/m1/s1
InChIKey
QIHXSWPLWOYYST-WIQRBZPFSA-N
SMILES
C1[C@@]
2([C@]
3(CC[C@]
4([C@]
([C@@]
3(C(C[C@]
2(C[C@H]
(C1)
O)
[H]
)
=O)
[H]
)
(CC[C@@]
4([C@@H]
(CCCC(C)
C)
C)
[H]
)
[H]
)
C)
[H]
)
C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-oxo-5α-cholestan-3β-ol (
CHEBI:137062
)
has functional parent
(5α)-cholestan-3β-ol (
CHEBI:86570
)
7-oxo-5α-cholestan-3β-ol (
CHEBI:137062
)
has role
human metabolite (
CHEBI:77746
)
7-oxo-5α-cholestan-3β-ol (
CHEBI:137062
)
is a
3β-hydroxy steroid (
CHEBI:36836
)
7-oxo-5α-cholestan-3β-ol (
CHEBI:137062
)
is a
7-oxo steroid (
CHEBI:47789
)
7-oxo-5α-cholestan-3β-ol (
CHEBI:137062
)
is a
cholestanoid (
CHEBI:50401
)
IUPAC Name
3β-hydroxy-5α-cholestan-7-one
Synonyms
Sources
(3β,5α)-3-hydroxycholestan-7-one
IUPAC
5α-cholestan-7-oxo-3β-ol
UniProt
7-keto-5α-cholestan-3β-ol
ChEBI
7-ketocholestanol
SUBMITTER
7-oxocholestanol
SUBMITTER
Registry Number
Type
Source
3218465
Reaxys Registry Number
Reaxys
Citation
Type
Source
21813643
PubMed citation
SUBMITTER
Last Modified
08 August 2017