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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:63906 - cholest-5-en-3-one
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ChEBI Name
cholest-5-en-3-one
ChEBI ID
CHEBI:63906
Definition
A 3-oxo Δ
5
-steroid that is cholesterol in which the alcoholic hydroxy group has been oxidised to the corresponding ketone.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C27H44O
Net Charge
0
Average Mass
384.63770
Monoisotopic Mass
384.33922
InChI
InChI=1S/C27H44O/c1-
18(2)
7-
6-
8-
19(3)
23-
11-
12-
24-
22-
10-
9-
20-
17-
21(28)
13-
15-
26(20,4)
25(22)
14-
16-
27(23,24)
5/h9,18-
19,22-
25H,6-
8,10-
17H2,1-
5H3/t19-
,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
GGCLNOIGPMGLDB-GYKMGIIDSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholest-5-en-3-one (
CHEBI:63906
)
has role
metabolite (
CHEBI:25212
)
cholest-5-en-3-one (
CHEBI:63906
)
is a
3-oxo-Δ
5
-steroid (
CHEBI:47907
)
cholest-5-en-3-one (
CHEBI:63906
)
is a
cholestanoid (
CHEBI:50401
)
IUPAC Name
cholest-5-en-3-one
Synonyms
Sources
5-cholesten-3-one
ChemIDplus
cholest-5-en-3-one
UniProt
cholestenone
ChemIDplus
cholesterone
ChemIDplus
Δ
5
-cholestenone
ChemIDplus
oxidized cholesterol
ChemIDplus
Registry Numbers
Types
Sources
2224118
Reaxys Registry Number
Reaxys
601-54-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
21208358
PubMed citation
Europe PMC
Last Modified
14 February 2012