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> Main
CHEBI:81013 - 7α,25-dihydroxy-4-cholesten-3-one
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ChEBI Name
7α,25-dihydroxy-4-cholesten-3-one
ChEBI ID
CHEBI:81013
ChEBI ASCII Name
7alpha,25-dihydroxy-4-cholesten-3-one
Definition
A cholestanoid that is 4-cholesten-3-one carrying two additional hydroxy substituents at positions 7α and 25.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O3
Net Charge
0
Average Mass
416.637
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
17(7-
6-
12-
25(2,3)
30)
20-
8-
9-
21-
24-
22(11-
14-
27(20,21)
5)
26(4)
13-
10-
19(28)
15-
18(26)
16-
23(24)
29/h15,17,20-
24,29-
30H,6-
14,16H2,1-
5H3/t17-
,20-
,21+,22+,23-
,24+,26+,27-
/m1/s1
InChIKey
POUKDTOWHPHYQU-HENOKILYSA-N
SMILES
[C@]
12([C@]
([C@]
3([C@]
(CC1)
([C@@]
4(C(=CC(CC4)
=O)
C[C@H]
3O)
C)
[H]
)
[H]
)
(CC[C@@]
2([C@@H]
(CCCC(O)
(C)
C)
C)
[H]
)
[H]
)
C
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
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
has functional parent
cholest-4-en-3-one (
CHEBI:16175
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
has role
human metabolite (
CHEBI:77746
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
is a
C
27
-steroid (
CHEBI:131619
)
7α,25-dihydroxy-4-cholesten-3-one (
CHEBI:81013
)
is a
cholestanoid (
CHEBI:50401
)
IUPAC Name
7α,25-dihydroxycholest-4-en-3-one
Synonyms
Sources
(7α)-7,25-dihydroxycholest-4-en-3-one
IUPAC
7α,25-dihydroxy-4-cholesten-3-one
UniProt
7alpha,25-Dihydroxy-4-cholesten-3-one
KEGG COMPOUND
7α,25-dihydroxycholestenone
HMDB
Manual Xrefs
Databases
C17332
KEGG COMPOUND
HMDB0060425
HMDB
View more database links
Registry Number
Type
Source
5620565
Reaxys Registry Number
Reaxys
Citations
Types
Sources
8662693
PubMed citation
Europe PMC
9249018
PubMed citation
Europe PMC
Last Modified
11 April 2018