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CHEBI:66108 - jaspamide E

ChEBI IDCHEBI:66108
ChEBI Namejaspamide E
Stars
DefinitionA cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it exhibits anti-tumour activity.
Last Modified13 April 2015
DownloadsMolfile
FormulaC36H45BrN4O7
Net Charge0
Average Mass725.681
Monoisotopic Mass724.24716
SMILESC/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)nc3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1
InChIInChI=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
InChIKeyDHQOFPFBUAFCRJ-GFUVCHAISA-N
Species of MetaboliteComponentSourceComments
Jaspis splendens (WORMS:169842) - DOI (10.1016/j.tet.2007.03.162)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:11016306Reaxys