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ChEBI
> Main
CHEBI:2287 - 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
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ChEBI Ontology
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ChEBI Name
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
ChEBI ID
CHEBI:2287
Stars
This entity has been manually annotated by a third party.
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Formula
C27H46O3
Net Charge
0
Average Mass
418.653
Monoisotopic Mass
418.34470
InChI
InChI=1S/C27H46O3/c1-
16(2)
7-
6-
8-
17(3)
20-
9-
10-
21-
25-
22(15-
24(30)
27(20,21)
5)
26(4)
12-
11-
19(28)
13-
18(26)
14-
23(25)
29/h16-
18,20-
25,29-
30H,6-
15H2,1-
5H3/t17?,18-
,20?,21?,22?,23-
,24+,25?,26?,27?/m1/s1
InChIKey
HHVQPBXBALLUDF-SVWKRCSNSA-N
SMILES
CC(C)CCCC(C)C1CCC2C3[C@H](O)C[C@H]4CC(=O)CCC4(C)C3C[C@H](O)C12C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
ChEBI Ontology
Outgoing
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (
CHEBI:2287
)
is a
3-oxo-5α-steroid (
CHEBI:13601
)
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (
CHEBI:2287
)
is a
cholestanoid (
CHEBI:50401
)
Synonym
Source
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
KEGG COMPOUND
Manual Xref
Database
C05458
KEGG COMPOUND
View more database links
Last Modified
26 April 2017