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CHEBI:68277 - (−)-jasplakinolide Z
4
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ChEBI Name
(−)-jasplakinolide Z
4
ChEBI ID
CHEBI:68277
ChEBI ASCII Name
(-)-jasplakinolide Z4
Definition
A depsipeptide isolated from
Jaspis splendens
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H39BrN4O4
Net Charge
0
Average Mass
563.52700
Monoisotopic Mass
562.21547
InChI
InChI=1S/C27H39BrN4O4/c1-
15(11-
16(2)
13-
18(4)
33)
12-
17(3)
26(35)
30-
19(5)
27(36)
32(6)
23(25(29)
34)
14-
21-
20-
9-
7-
8-
10-
22(20)
31-
24(21)
28/h7-
11,16-
19,23,31,33H,12-
14H2,1-
6H3,(H2,29,34)
(H,30,35)
/b15-
11+/t16-
,17-
,18-
,19-
,23+/m0/s1
InChIKey
XWCIEJNXKGXQCZ-YZTGKPPRSA-N
SMILES
C[C@H](O)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
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):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
has role
animal metabolite (
CHEBI:75767
)
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
has role
antineoplastic agent (
CHEBI:35610
)
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
has role
marine metabolite (
CHEBI:76507
)
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
is a
depsipeptide (
CHEBI:23643
)
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
is a
indoles (
CHEBI:24828
)
(−)-jasplakinolide Z
4
(
CHEBI:68277
)
is a
organobromine compound (
CHEBI:37141
)
IUPAC Name
N
-
[(2
S
,4
E
,6
R
,8
S
)-
8-
hydroxy-
2,4,6-
trimethylnon-
4-
enoyl]-
L
-
alanyl-
2-
bromo-
N
α-
methyl-
D
-
tryptophanamide
Registry Number
Type
Source
21404706
Reaxys Registry Number
Reaxys
Citation
Type
Source
21241058
PubMed citation
Europe PMC
Last Modified
25 March 2015