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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:133627 - 24-ethylcoprostanol
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ChEBI Ontology
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ChEBI Name
24-ethylcoprostanol
ChEBI ID
CHEBI:133627
Definition
A member of the class of phytosterols that is coprostanol carrying an additional ethyl substituent at position 24.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H52O
Net Charge
0
Average Mass
416.724
Monoisotopic Mass
416.40182
InChI
InChI=1S/C29H52O/c1-
7-
21(19(2)
3)
9-
8-
20(4)
25-
12-
13-
26-
24-
11-
10-
22-
18-
23(30)
14-
16-
28(22,5)
27(24)
15-
17-
29(25,26)
6/h19-
27,30H,7-
18H2,1-
6H3/t20-
,21?,22-
,23+,24+,25-
,26+,27+,28+,29-
/m1/s1
InChIKey
LGJMUZUPVCAVPU-OKGOGUTDSA-N
SMILES
[C@]
1([C@@H]
(CCC(C(C)
C)
CC)
C)
([C@]
2(CC[C@@]
3([C@]
4(CC[C@@H]
(C[C@]
4(CC[C@]
3([C@@]
2(CC1)
[H]
)
[H]
)
[H]
)
O)
C)
[H]
)
C)
[H]
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
24-ethylcoprostanol (
CHEBI:133627
)
has functional parent
coprostanol (
CHEBI:89519
)
24-ethylcoprostanol (
CHEBI:133627
)
has role
plant metabolite (
CHEBI:76924
)
24-ethylcoprostanol (
CHEBI:133627
)
is a
3-hydroxy steroid (
CHEBI:36834
)
24-ethylcoprostanol (
CHEBI:133627
)
is a
phytosterols (
CHEBI:26125
)
IUPAC Name
(3β,5β,24ξ)-stigmastan-3-ol
Synonym
Source
24-ethyl-5β-cholestan-3β-ol
ChEBI
Registry Number
Type
Source
6276638
Reaxys Registry Number
Reaxys
Last Modified
23 March 2017