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> Main
CHEBI:17899 - 7α-hydroxycholest-4-en-3-one
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ChEBI Name
7α-hydroxycholest-4-en-3-one
ChEBI ID
CHEBI:17899
ChEBI ASCII Name
7alpha-hydroxycholest-4-en-3-one
Definition
A cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C=C bond at the 4,5-position and an α-hydroxy group at the 7-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2292, CHEBI:20800, CHEBI:12262, CHEBI:58317
Supplier Information
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Molfile
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Molfile
Formulae
C27H44O2
C27H44O2
Net Charge
0
Average Mass
400.63706
Monoisotopic Mass
400.33413
InChI
InChI=1S/C27H44O2/c1-
17(2)
7-
6-
8-
18(3)
21-
9-
10-
22-
25-
23(12-
14-
27(21,22)
5)
26(4)
13-
11-
20(28)
15-
19(26)
16-
24(25)
29/h15,17-
18,21-
25,29H,6-
14,16H2,1-
5H3/t18-
,21-
,22+,23+,24-
,25+,26+,27-
/m1/s1
InChIKey
IOIZWEJGGCZDOL-RQDYSCIWSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
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
7α-hydroxycholest-4-en-3-one (
CHEBI:17899
)
has role
human metabolite (
CHEBI:77746
)
7α-hydroxycholest-4-en-3-one (
CHEBI:17899
)
has role
mouse metabolite (
CHEBI:75771
)
7α-hydroxycholest-4-en-3-one (
CHEBI:17899
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
7α-hydroxycholest-4-en-3-one (
CHEBI:17899
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
7α-hydroxycholest-4-en-3-one (
CHEBI:17899
)
is a
cholestanoid (
CHEBI:50401
)
IUPAC Name
7α-hydroxycholest-4-en-3-one
Synonyms
Sources
7alpha-Hydroxy-4-cholesten-3-one
ChemIDplus
7α-hydroxycholest-4-en-3-one
UniProt
7alpha-Hydroxycholest-4-en-3-one
KEGG COMPOUND
Cholest-4-en-7alpha-ol-3-one
ChemIDplus
Manual Xrefs
Databases
C05455
KEGG COMPOUND
LMST04030123
LIPID MAPS
View more database links
Registry Number
Type
Source
3862-25-7
CAS Registry Number
ChemIDplus
Last Modified
18 October 2017