CHEBI:66108 - jaspamide E

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ChEBI Name jaspamide E
ChEBI ID CHEBI:66108
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
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Formula C36H45BrN4O7
Net Charge 0
Average Mass 725.66900
Monoisotopic Mass 724.24716
InChI InChI=1S/C36H45BrN4O7/c1-20-14-21(2)16-23(4)48-32(44)18-29(24-10-12-25(43)13-11-24)39-35(46)31(17-27-26-8-6-7-9-28(26)38-33(27)37)41(5)36(47)30(19-42)40-34(45)22(3)15-20/h6-14,21-23,29-31,38,42-43H,15-19H2,1-5H3,(H,39,46)(H,40,45)/b20-14+/t21-,22-,23-,29+,30-,31+/m0/s1
InChIKey DHQOFPFBUAFCRJ-GFUVCHAISA-N
SMILES C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](CO)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: DOI
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 E (CHEBI:66108) has role animal metabolite (CHEBI:75767)
jaspamide E (CHEBI:66108) has role antineoplastic agent (CHEBI:35610)
jaspamide E (CHEBI:66108) has role marine metabolite (CHEBI:76507)
jaspamide E (CHEBI:66108) is a cyclodepsipeptide (CHEBI:35213)
jaspamide E (CHEBI:66108) is a macrocycle (CHEBI:51026)
jaspamide E (CHEBI:66108) is a organobromine compound (CHEBI:37141)
IUPAC Name
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-10-(hydroxymethyl)-4-(4-hydroxyphenyl)-8,13,15,17,19-pentamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Registry Number Type Source
11016306 Reaxys Registry Number Reaxys
Last Modified
13 April 2015
General Comment
2013-03-04 Tetrahedron (2007),63, 5212 - 5219.