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ChEBI
> Main
CHEBI:16074 - 5β-cholestan-3-one
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ChEBI Name
5β-cholestan-3-one
ChEBI ID
CHEBI:16074
ChEBI ASCII Name
5beta-cholestan-3-one
Definition
A 3-oxo-5β-steroid that is 5β-cholestane substituted by an oxo group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20665, CHEBI:2146, CHEBI:12177
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-JDIFZLMISA-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
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
5β-cholestan-3-one (
CHEBI:16074
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
5β-cholestan-3-one (
CHEBI:16074
)
has role
human metabolite (
CHEBI:77746
)
5β-cholestan-3-one (
CHEBI:16074
)
is a
3-oxo-5β-steroid (
CHEBI:1624
)
5β-cholestan-3-one (
CHEBI:16074
)
is a
3-oxocholestane (
CHEBI:167166
)
IUPAC Name
5β-cholestan-3-one
Synonyms
Sources
5beta-Cholestan-3-one
KEGG COMPOUND
5beta-cholestan-3-one
ChEBI
5β-cholestan-3-one
UniProt
Coprostan-3-one
KEGG COMPOUND
Manual Xrefs
Databases
C03091
KEGG COMPOUND
CPD-1082
MetaCyc
HMDB0059604
HMDB
LMST01010205
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3214762
Reaxys Registry Number
Reaxys
601-53-6
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
11893405
PubMed citation
Europe PMC
15246959
PubMed citation
Europe PMC
4381999
PubMed citation
Europe PMC
5891968
PubMed citation
Europe PMC
Last Modified
22 January 2021