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CHEBI:68280 - (+)-jasplakinolide Z
5
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ChEBI Name
(+)-jasplakinolide Z
5
ChEBI ID
CHEBI:68280
ChEBI ASCII Name
(+)-jasplakinolide Z5
Definition
A depsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C36H45BrN4O8
Net Charge
0
Average Mass
741.66900
Monoisotopic Mass
740.24208
InChI
InChI=1S/C36H45BrN4O8/c1-
19(13-
20(2)
15-
22(4)
49-
32(45)
18-
30(43)
24-
11-
12-
29(42)
31(44)
16-
24)
14-
21(3)
35(47)
39-
23(5)
36(48)
41(6)
28(34(38)
46)
17-
26-
25-
9-
7-
8-
10-
27(25)
40-
33(26)
37/h7-
13,16,20-
23,28,40,42,44H,14-
15,17-
18H2,1-
6H3,(H2,38,46)
(H,39,47)
/b19-
13+/t20-
,21-
,22-
,23-
,28+/m0/s1
InChIKey
WLNVNURVJRCGBS-DPFRTYBKSA-N
SMILES
C[C@@H]
(C[C@@H]
(C)
\C=C(/C)
C[C@H]
(C)
C(=O)
N[C@@H]
(C)
C(=O)
N(C)
[C@H]
(Cc1c(Br)
[nH]
c2ccccc12)
C(N)
=O)
OC(=O)
CC(=O)
c1ccc(O)
c(O)
c1
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 Z
5
(
CHEBI:68280
)
has role
animal metabolite (
CHEBI:75767
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
has role
antineoplastic agent (
CHEBI:35610
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
has role
marine metabolite (
CHEBI:76507
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
is a
carboxylic ester (
CHEBI:33308
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
is a
catechols (
CHEBI:33566
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
is a
depsipeptide (
CHEBI:23643
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
is a
indoles (
CHEBI:24828
)
(+)-jasplakinolide Z
5
(
CHEBI:68280
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
N
-
[(2
S
,4
E
,6
R
,8
S
)-
8-
{[3-
(3,4-
dihydroxyphenyl)-
3-
oxopropanoyl]oxy}-
2,4,6-
trimethylnon-
4-
enoyl]-
L
-
alanyl-
2-
bromo-
N
α-
methyl-
D
-
tryptophanamide
Registry Number
Type
Source
21404713
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015