CHEBI:68274 - (+)-jasplakinolide Z1

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ChEBI Name (+)-jasplakinolide Z1
ChEBI ID CHEBI:68274
ChEBI ASCII Name (+)-jasplakinolide Z1
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 C36H47BrN4O7
Net Charge 0
Average Mass 727.68500
Monoisotopic Mass 726.26281
InChI InChI=1S/C36H47BrN4O7/c1-20(15-21(2)17-23(4)42)16-22(3)34(46)38-24(5)36(48)41(6)31(18-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(19-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
InChIKey PPXQSUWEWPAOGM-DHKPLNAMSA-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(=O)N[C@H](CC(O)=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 Z1 (CHEBI:68274) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide Z1 (CHEBI:68274) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide Z1 (CHEBI:68274) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide Z1 (CHEBI:68274) is a depsipeptide (CHEBI:23643)
(+)-jasplakinolide Z1 (CHEBI:68274) is a indoles (CHEBI:24828)
(+)-jasplakinolide Z1 (CHEBI:68274) is a organobromine compound (CHEBI:37141)
(+)-jasplakinolide Z1 (CHEBI:68274) 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)-2-carboxy-1-(4-hydroxyphenyl)ethyl]-Nα-methyl-D-tryptophanamide
Registry Number Type Source
21404708 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015