CHEBI:68280 - (+)-jasplakinolide Z5

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ChEBI Name (+)-jasplakinolide Z5
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
Download Molfile XML SDF
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 (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 Z5 (CHEBI:68280) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide Z5 (CHEBI:68280) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide Z5 (CHEBI:68280) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide Z5 (CHEBI:68280) is a carboxylic ester (CHEBI:33308)
(+)-jasplakinolide Z5 (CHEBI:68280) is a catechols (CHEBI:33566)
(+)-jasplakinolide Z5 (CHEBI:68280) is a depsipeptide (CHEBI:23643)
(+)-jasplakinolide Z5 (CHEBI:68280) is a indoles (CHEBI:24828)
(+)-jasplakinolide Z5 (CHEBI:68280) is a organobromine compound (CHEBI:37141)
IUPAC Name
N-[(2S,4E,6R,8S)-8-{[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]oxy}-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-Nα-methyl-D-tryptophanamide
Registry Number Type Source
21404713 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015