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ChEBI
> Main
CHEBI:66105 - jaspamide B
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ChEBI Ontology
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ChEBI Name
jaspamide B
ChEBI ID
CHEBI:66105
Definition
A cyclodepsipeptide isolated from
Jaspis splendens
. A derivative of jaspamide, it exhibits anti-tumour activity.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C36H43BrN4O7
Net Charge
0
Average Mass
723.65300
Monoisotopic Mass
722.23151
InChI
InChI=1S/C36H43BrN4O7/c1-
19-
15-
21(3)
34(45)
38-
23(5)
36(47)
41(6)
30(17-
27-
26-
9-
7-
8-
10-
28(26)
39-
33(27)
37)
35(46)
40-
29(24-
11-
13-
25(42)
14-
12-
24)
18-
31(43)
48-
22(4)
16-
20(2)
32(19)
44/h7-
14,20-
23,29-
30,39,42H,1,15-
18H2,2-
6H3,(H,38,45)
(H,40,46)
/t20-
,21+,22+,23+,29-
,30-
/m1/s1
InChIKey
ZPXZSAWIJKVCLD-JARXUDBDSA-N
SMILES
C[C@H]
1C[C@@H]
(C)
C(=O)
C(=C)
C[C@H]
(C)
C(=O)
N[C@@H]
(C)
C(=O)
N(C)
[C@H]
(Cc2c(Br)
[nH]
c3ccccc23)
C(=O)
N[C@H]
(CC(=O)
O1)
c1ccc(O)
cc1
Metabolite of Species
Details
Jaspis
sp.
endens
(WORMS:169842)
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
jaspamide B (
CHEBI:66105
)
has role
animal metabolite (
CHEBI:75767
)
jaspamide B (
CHEBI:66105
)
has role
antineoplastic agent (
CHEBI:35610
)
jaspamide B (
CHEBI:66105
)
has role
marine metabolite (
CHEBI:76507
)
jaspamide B (
CHEBI:66105
)
is a
cyclodepsipeptide (
CHEBI:35213
)
jaspamide B (
CHEBI:66105
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
(4
R
,7
R
,10
S
,13
S
,17
R
,19
S
)-
7-
[(2-
bromo-
1
H
-
indol-
3-
yl)methyl]-
4-
(4-
hydroxyphenyl)-
8,10,13,17,19-
pentamethyl-
15-
methylidene-
1-
oxa-
5,8,11-
triazacyclononadecane-
2,6,9,12,16-
pentone
Synonym
Source
jasplakinolide B
ChEBI
Manual Xref
Database
8922794
ChemSpider
View more database links
Registry Number
Type
Source
8303372
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10075778
PubMed citation
Europe PMC
21241058
PubMed citation
Europe PMC
Last Modified
13 April 2015