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> Main
CHEBI:68276 - (+)-jasplakinolide Z3
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ChEBI Name
(+)-jasplakinolide Z3
ChEBI ID
CHEBI:68276
Definition
A depsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C38H51BrN4O7
Net Charge
0
Average Mass
755.73800
Monoisotopic Mass
754.29411
InChI
InChI=1S/C38H51BrN4O7/c1-
8-
50-
34(46)
21-
32(27-
13-
15-
28(45)
16-
14-
27)
42-
37(48)
33(20-
30-
29-
11-
9-
10-
12-
31(29)
41-
35(30)
39)
43(7)
38(49)
26(6)
40-
36(47)
24(4)
18-
22(2)
17-
23(3)
19-
25(5)
44/h9-
17,23-
26,32-
33,41,44-
45H,8,18-
21H2,1-
7H3,(H,40,47)
(H,42,48)
/b22-
17+/t23-
,24-
,25-
,26-
,32+,33+/m0/s1
InChIKey
MQSADLRWWNQXKN-OUEARBRESA-N
SMILES
CCOC(=O)
C[C@@H]
(NC(=O)
[C@@H]
(Cc1c(Br)
[nH]
c2ccccc12)
N(C)
C(=O)
[C@H]
(C)
NC(=O)
[C@@H]
(C)
C\C(C)
=C\[C@H]
(C)
C[C@H]
(C)
O)
c1ccc(O)
cc1
Metabolite of Species
Details
Jaspis
sp.
endens
(WORMS:169842)
Methanolic extract of sponge See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-jasplakinolide Z3 (
CHEBI:68276
)
has role
animal metabolite (
CHEBI:75767
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
has role
antineoplastic agent (
CHEBI:35610
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
has role
marine metabolite (
CHEBI:76507
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
is a
depsipeptide (
CHEBI:23643
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
is a
ethyl ester (
CHEBI:23990
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
is a
indoles (
CHEBI:24828
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
is a
organobromine compound (
CHEBI:37141
)
(+)-jasplakinolide Z3 (
CHEBI:68276
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
N
-
[(2
S
,4
E
,6
R
,8
S
)-
8-
hydroxy-
2,4,6-
trimethylnon-
4-
enoyl]-
L
-
alanyl-
2-
bromo-
N
-
[(1
R
)-
3-
ethoxy-
1-
(4-
hydroxyphenyl)-
3-
oxopropyl]-
N
α-
methyl-
D
-
tryptophanamide
Registry Number
Type
Source
21404710
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015