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CHEBI:66110 - jaspamide G

ChEBI IDCHEBI:66110
ChEBI Namejaspamide G
Stars
DefinitionA cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it exhibits anti-tumour activity.
Last Modified13 April 2015
DownloadsMolfile
FormulaC36H43BrN4O7
Net Charge0
Average Mass723.665
Monoisotopic Mass722.23151
SMILESC[C@@H]1NC(=O)[C@@H](C)C/C(C=O)=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)C1=O
InChIInChI=1S/C36H43BrN4O7/c1-20-14-22(3)48-32(44)18-30(25-10-12-26(43)13-11-25)40-35(46)31(17-28-27-8-6-7-9-29(27)39-33(28)37)41(5)36(47)23(4)38-34(45)21(2)16-24(15-20)19-42/h6-13,15,19-23,30-31,39,43H,14,16-18H2,1-5H3,(H,38,45)(H,40,46)/b24-15+/t20-,21+,22+,23+,30-,31-/m1/s1
InChIKeySBOUVKPLPSBCNP-LYDSZSQBSA-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:
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 G (CHEBI:66110) has role animal metabolite (CHEBI:75767)
jaspamide G (CHEBI:66110) has role antineoplastic agent (CHEBI:35610)
jaspamide G (CHEBI:66110) has role marine metabolite (CHEBI:76507)
jaspamide G (CHEBI:66110) is a aldehyde (CHEBI:17478)
jaspamide G (CHEBI:66110) is a cyclodepsipeptide (CHEBI:35213)
jaspamide G (CHEBI:66110) is a macrocycle (CHEBI:51026)
jaspamide G (CHEBI:66110) is a organobromine compound (CHEBI:37141)
IUPAC Name 
(4R,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,17,19-pentamethyl-2,6,9,12-tetraoxo-1-oxa-5,8,11-triazacyclononadec-15-ene-15-carbaldehyde
Manual XrefsDatabases
23076431ChemSpider
Registry NumbersSources
Reaxys:11016308Reaxys