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CHEBI:67564 - paraminabeolide E
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ChEBI Ontology
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ChEBI Name
paraminabeolide E
ChEBI ID
CHEBI:67564
Definition
A withanolide that is the
C
-25 epimer of paraminabeolide D. It has been isolated from a Formosan soft coral
Paraminabea acronocephala
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H40O4
Net Charge
0
Average Mass
440.61480
Monoisotopic Mass
440.29266
InChI
InChI=1S/C28H40O4/c1-
15-
16(2)
26(31)
32-
25(15)
24(30)
17(3)
21-
8-
9-
22-
20-
7-
6-
18-
14-
19(29)
10-
12-
27(18,4)
23(20)
11-
13-
28(21,22)
5/h10,12,14-
17,20-
25,30H,6-
9,11,13H2,1-
5H3/t15-
,16-
,17-
,20-
,21+,22-
,23-
,24-
,25+,27-
,28+/m0/s1
InChIKey
UISXVQNCBCKQHL-RKXKHITBSA-N
SMILES
C[C@H]
([C@H]
(O)
[C@@H]
1OC(=O)
[C@@H]
(C)
[C@@H]
1C)
[C@H]
1CC[C@H]
2[C@@H]
3CCC4=CC(=O)
C=C[C@]
4(C)
[C@H]
3CC[C@]
12C
Metabolite of Species
Details
Paraminabea acronocephala
(WORMS:290662)
Ethanolic extract of minced frozen bodies See:
PubMed
Roles Classification
Biological Role
(s):
coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
withanolide
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
paraminabeolide E (
CHEBI:67564
)
has role
coral metabolite (
CHEBI:76498
)
paraminabeolide E (
CHEBI:67564
)
is a
γ-lactone (
CHEBI:37581
)
paraminabeolide E (
CHEBI:67564
)
is a
3-oxo-Δ
1
,Δ
4
-steroid (
CHEBI:77166
)
paraminabeolide E (
CHEBI:67564
)
is a
ergostanoid (
CHEBI:50403
)
paraminabeolide E (
CHEBI:67564
)
is a
secondary alcohol (
CHEBI:35681
)
paraminabeolide E (
CHEBI:67564
)
is a
withanolide (
CHEBI:74716
)
IUPAC Name
(22
S
,23
R
,24
S
,25
S
)-22-hydroxy-23,26-epoxyergosta-1,4-diene-3,26-dione
Registry Number
Type
Source
21534302
Reaxys Registry Number
Reaxys
Citation
Type
Source
21425785
PubMed citation
Europe PMC
Last Modified
30 January 2014