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CHEBI:66109 - jaspamide F

ChEBI IDCHEBI:66109
ChEBI Namejaspamide F
Stars
DefinitionA cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it exhibits anti-tumour activity.
Last Modified13 April 2015
DownloadsMolfile
FormulaC35H43BrN4O6
Net Charge0
Average Mass695.655
Monoisotopic Mass694.23660
SMILESC[C@@H]1NC(=O)[C@@H](C)C/C=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/C35H43BrN4O6/c1-20-9-8-10-21(2)33(43)37-23(4)35(45)40(5)30(18-27-26-11-6-7-12-28(26)38-32(27)36)34(44)39-29(19-31(42)46-22(3)17-20)24-13-15-25(41)16-14-24/h6-9,11-16,20-23,29-30,38,41H,10,17-19H2,1-5H3,(H,37,43)(H,39,44)/b9-8+/t20-,21-,22-,23-,29+,30+/m0/s1
InChIKeyDWQBPWLYAVCSSB-PMJQVYFVSA-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 F (CHEBI:66109) has role animal metabolite (CHEBI:75767)
jaspamide F (CHEBI:66109) has role antineoplastic agent (CHEBI:35610)
jaspamide F (CHEBI:66109) has role marine metabolite (CHEBI:76507)
jaspamide F (CHEBI:66109) is a cyclodepsipeptide (CHEBI:35213)
jaspamide F (CHEBI:66109) is a macrocycle (CHEBI:51026)
jaspamide F (CHEBI:66109) 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-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:11016307Reaxys