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CHEBI:68276 - (+)-jasplakinolide Z3

ChEBI IDCHEBI:68276
ChEBI Name(+)-jasplakinolide Z3
Stars
DefinitionA depsipeptide isolated from Jaspis splendens.
Last Modified13 April 2015
DownloadsMolfile
FormulaC38H51BrN4O7
Net Charge0
Average Mass755.751
Monoisotopic Mass754.29411
SMILES[H][C@@](Cc1c(Br)nc2ccccc12)(C(=O)N[C@H](CC(=O)OCC)c1ccc(O)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)O
InChIInChI=1S/C38H51BrN4O7/c1-8-50-34(46)21-32(27-13-15-28(45)16-14-27)42-37(48)33(20-30-29-11-9-10-12-31(29)41-35(30)39)43(7)38(49)26(6)40-36(47)24(4)18-22(2)17-23(3)19-25(5)44/h9-17,23-26,32-33,41,44-45H,8,18-21H2,1-7H3,(H,40,47)(H,42,48)/b22-17+/t23-,24-,25-,26-,32+,33+/m0/s1
InChIKeyMQSADLRWWNQXKN-OUEARBRESA-N
Species of MetaboliteComponentSourceComments
Jaspis splendens (WORMS:169842) - PubMed (21241058) Methanolic extract of sponge
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)
(+)-jasplakinolide Z3 (CHEBI:68276) has role animal metabolite (CHEBI:75767)
(+)-jasplakinolide Z3 (CHEBI:68276) has role antineoplastic agent (CHEBI:35610)
(+)-jasplakinolide Z3 (CHEBI:68276) has role marine metabolite (CHEBI:76507)
(+)-jasplakinolide Z3 (CHEBI:68276) is a depsipeptide (CHEBI:23643)
(+)-jasplakinolide Z3 (CHEBI:68276) is a ethyl ester (CHEBI:23990)
(+)-jasplakinolide Z3 (CHEBI:68276) is a indoles (CHEBI:24828)
(+)-jasplakinolide Z3 (CHEBI:68276) is a organobromine compound (CHEBI:37141)
(+)-jasplakinolide Z3 (CHEBI:68276) is a phenols (CHEBI:33853)
IUPAC Name 
N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-N-[(1R)-3-ethoxy-1-(4-hydroxyphenyl)-3-oxopropyl]-Nα-methyl-D-tryptophanamide
Registry NumbersSources
Reaxys:21404710Reaxys
Citations