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.
Supplier Information
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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 (Bronsted 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-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-3-ethoxy-1-(4-hydroxyphenyl)-3-oxopropyl]-Nα-methyl-D-tryptophanamide
Registry Number Type Source
21404710 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015