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ChEBI
> Main
CHEBI:69434 - stigmasterol 3-
O
-acetate
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ChEBI Name
stigmasterol 3-
O
-acetate
ChEBI ID
CHEBI:69434
ChEBI ASCII Name
stigmasterol 3-O-acetate
Definition
A steroid ester obtained by the formal condensation of the hydroxy group of phytosterol with acetic acid. It has been obtained from the mycelia of
Cordyceps sinensis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C31H50O2
Net Charge
0
Average Mass
454.72750
Monoisotopic Mass
454.38108
InChI
InChI=1S/C31H50O2/c1-
8-
23(20(2)
3)
10-
9-
21(4)
27-
13-
14-
28-
26-
12-
11-
24-
19-
25(33-
22(5)
32)
15-
17-
30(24,6)
29(26)
16-
18-
31(27,28)
7/h9-
11,20-
21,23,25-
29H,8,12-
19H2,1-
7H3/b10-
9+/t21-
,23-
,25+,26+,27-
,28+,29+,30+,31-
/m1/s1
InChIKey
IZEUIYYDWBKERE-ZRODXFKISA-N
SMILES
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
Metabolite of Species
Details
Cordyceps sinensis
(NCBI:txid72228)
Found in mycelium
(BTO:0001436)
. EtOH extract of dried mycelia, mixture of beta-sitosterol 3-O-acetate and stigmasterol 3-O-acetate See:
PubMed
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
has functional parent
stigmasterol (
CHEBI:28824
)
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
has parent hydride
stigmastane (
CHEBI:26773
)
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
has role
fungal metabolite (
CHEBI:76946
)
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
has role
plant metabolite (
CHEBI:76924
)
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
is a
acetate ester (
CHEBI:47622
)
stigmasterol 3-
O
-acetate (
CHEBI:69434
)
is a
steroid ester (
CHEBI:47880
)
IUPAC Name
(22
E
)-stigmasta-5,22-dien-3β-yl acetate
Synonyms
Sources
StigAc
ChEBI
stigmasterol acetate
ChemIDplus
Registry Numbers
Types
Sources
2570673
Reaxys Registry Number
Reaxys
4651-48-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
12774386
PubMed citation
Europe PMC
17622954
PubMed citation
Europe PMC
21848266
PubMed citation
Europe PMC
374870
Chinese Abstracts citation
Europe PMC
7480179
PubMed citation
Europe PMC
Last Modified
14 January 2014