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> Main
CHEBI:17762 - 5α-cholestan-3-one
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ChEBI Name
5α-cholestan-3-one
ChEBI ID
CHEBI:17762
ChEBI ASCII Name
5alpha-cholestan-3-one
Definition
A 3-oxo-5α- steroid that is 5α-cholestane substituted by an oxo group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2141, CHEBI:12173, CHEBI:20647
Supplier Information
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Formula
C27H46O
Net Charge
0
Average Mass
386.65354
Monoisotopic Mass
386.35487
InChI
InChI=1S/C27H46O/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/h18-
20,22-
25H,6-
17H2,1-
5H3/t19-
,20+,22+,23-
,24+,25+,26+,27-
/m1/s1
InChIKey
PESKGJQREUXSRR-UXIWKSIVSA-N
SMILES
[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCCC(C)C)[C@@]1(C)CCC(=O)C2
Roles Classification
Biological Role
(s):
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5α-cholestan-3-one (
CHEBI:17762
)
has parent hydride
5α-cholestane (
CHEBI:35515
)
5α-cholestan-3-one (
CHEBI:17762
)
has role
mammalian metabolite (
CHEBI:75768
)
5α-cholestan-3-one (
CHEBI:17762
)
is a
3-oxo-5α-steroid (
CHEBI:13601
)
5α-cholestan-3-one (
CHEBI:17762
)
is a
3-oxocholestane (
CHEBI:167166
)
IUPAC Name
5α-cholestan-3-one
Synonyms
Sources
5alpha-cholestan-3-one
ChEBI
5alpha-Cholestan-3-one
KEGG COMPOUND
5α-cholestan-3-one
UniProt
Manual Xrefs
Databases
C03238
KEGG COMPOUND
HMDB0000871
HMDB
LMST01010174
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2625580
Reaxys Registry Number
Reaxys
566-88-1
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
10417325
PubMed citation
Europe PMC
15038058
PubMed citation
Europe PMC
15918579
PubMed citation
Europe PMC
17018531
PubMed citation
Europe PMC
4381999
PubMed citation
Europe PMC
494355
PubMed citation
Europe PMC
Last Modified
22 January 2021