CHEBI:66105 - jaspamide B

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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.
Supplier Information
Download Molfile XML SDF
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 (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 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
(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-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 Waiting for Citations Types Sources
10075778 PubMed citation Europe PMC
21241058 PubMed citation Europe PMC
Last Modified
13 April 2015