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> Main
CHEBI:27428 - 3α,7α-dihydroxy-5β-cholestan-26-al
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ChEBI Ontology
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Models
ChEBI Name
3α,7α-dihydroxy-5β-cholestan-26-al
ChEBI ID
CHEBI:27428
ChEBI ASCII Name
3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1706, CHEBI:20231
Supplier Information
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Formula
C27H46O3
Net Charge
0
Average Mass
418.65234
Monoisotopic Mass
418.34470
InChI
InChI=1S/C27H46O3/c1-
17(16-
28)
6-
5-
7-
18(2)
21-
8-
9-
22-
25-
23(11-
13-
27(21,22)
4)
26(3)
12-
10-
20(29)
14-
19(26)
15-
24(25)
30/h16-
25,29-
30H,5-
15H2,1-
4H3/t17?,18-
,19+,20-
,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
YWGOKHMOJTZGBN-UGMUFZQESA-N
SMILES
[H]
C(=O)
C(C)
CCC[C@@H]
(C)
[C@@]
1([H]
)
CC[C@@]
2([H]
)
[C@]
3([H]
)
[C@H]
(O)
C[C@]
4([H]
)
C[C@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
has parent hydride
5β-cholestane (
CHEBI:35517
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
has role
human metabolite (
CHEBI:77746
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
has role
mouse metabolite (
CHEBI:75771
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
is a
26-oxo steroid (
CHEBI:36884
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
3α,7α-dihydroxy-5β-cholestan-26-al (
CHEBI:27428
)
is a
steroid aldehyde (
CHEBI:131565
)
IUPAC Name
3α,7α-dihydroxy-5β-cholestan-26-al
Synonyms
Sources
3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
ChEBI
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
KEGG COMPOUND
Manual Xref
Database
C05445
KEGG COMPOUND
View more database links
Last Modified
17 March 2016