CHEBI:66109 - jaspamide F

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ChEBI Name jaspamide F
ChEBI ID CHEBI:66109
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
Download Molfile XML SDF
Formula C35H43BrN4O6
Net Charge 0
Average Mass 695.64300
Monoisotopic Mass 694.237
InChI InChI=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
InChIKey DWQBPWLYAVCSSB-PMJQVYFVSA-N
SMILES C[C@H]1C[C@@H](C)\C=C\C[C@H](C)C(=O)N[C@@H](C)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 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 Number Type Source
11016307 Reaxys Registry Number Reaxys
Last Modified
13 April 2015
General Comment
2013-03-06 Tetrahedron (2007),63, 5212 - 5219.