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> Main
CHEBI:68895 - 24-ethylcholesta-4,22-dien-3-one
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ChEBI Ontology
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ChEBI Name
24-ethylcholesta-4,22-dien-3-one
ChEBI ID
CHEBI:68895
Definition
A 3-oxo steroid that is cholesta-4,22-dien-3-one substituted by an oxo group at position 3. It has been isolated from
Croton gratissimus
.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C29H46O
Net Charge
0
Average Mass
410.67490
Monoisotopic Mass
410.35487
InChI
InChI=1S/C29H46O/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/h8-
9,18-
21,24-
27H,7,10-
17H2,1-
6H3/b9-
8+/t20-
,21?,24+,25-
,26+,27+,28+,29-
/m1/s1
InChIKey
MKGZDUKUQPPHFM-KBEOWXOMSA-N
SMILES
CCC(C(C)C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species
Details
Croton gratissimus
(NCBI:txid316784)
Found in leaf
(BTO:0000713)
. Combined hexane,methylene chloride,ethyl acetate and methanol extract of ground leaves See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
24-ethylcholesta-4,22-dien-3-one (
CHEBI:68895
)
has role
metabolite (
CHEBI:25212
)
24-ethylcholesta-4,22-dien-3-one (
CHEBI:68895
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
IUPAC Name
(22
E
,24ξ)-stigmasta-4,22-dien-3-one
Registry Number
Type
Source
15766024
Reaxys Registry Number
Reaxys
Citation
Type
Source
22032651
PubMed citation
Europe PMC
Last Modified
04 May 2017