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CHEBI:66106 - jaspamide C

ChEBI IDCHEBI:66106
ChEBI Namejaspamide C
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=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)nc3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)C1O
InChIInChI=1S/C36H45BrN4O7/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/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32?/m1/s1
InChIKeyBJPMREHPIFRLGM-KALUOVLNSA-N
Species of MetaboliteComponentSourceComments
Jaspis splendens (WORMS:169842) - PubMed (10075778)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
jaspamide C (CHEBI:66106) has role animal metabolite (CHEBI:75767)
jaspamide C (CHEBI:66106) has role antineoplastic agent (CHEBI:35610)
jaspamide C (CHEBI:66106) has role marine metabolite (CHEBI:76507)
jaspamide C (CHEBI:66106) is a cyclodepsipeptide (CHEBI:35213)
jaspamide C (CHEBI:66106) is a macrocycle (CHEBI:51026)
jaspamide C (CHEBI:66106) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(4R,7R,10S,13S,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-15-methylidene-1-oxa-5,8,11-triazacyclononadecane-2,6,9,12-tetrone
Manual XrefsDatabases
8684509ChemSpider
Citations