(+)-jasplakinolide Z5 (CHEBI:68280)

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CHEBI:68280 - (+)-jasplakinolide Z₅

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ChEBI ID	CHEBI:68280
ChEBI Name	(+)-jasplakinolide Z₅
Stars
ASCII Name	(+)-jasplakinolide Z5
Definition	A depsipeptide isolated from Jaspis splendens.
Last Modified	13 April 2015
Downloads	Molfile

Formula	C36H45BrN4O8
Net Charge	0
Average Mass	741.680
Monoisotopic Mass	740.24208
SMILES	C/C(=C\[C@H](C)C[C@H](C)OC(=O)CC(=O)c1ccc(O)c(O)c1)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)nc2ccccc12)C(N)=O
InChI	InChI=1S/C36H45BrN4O8/c1-19(13-20(2)15-22(4)49-32(45)18-30(43)24-11-12-29(42)31(44)16-24)14-21(3)35(47)39-23(5)36(48)41(6)28(34(38)46)17-26-25-9-7-8-10-27(25)40-33(26)37/h7-13,16,20-23,28,40,42,44H,14-15,17-18H2,1-6H3,(H2,38,46)(H,39,47)/b19-13+/t20-,21-,22-,23-,28+/m0/s1
InChIKey	WLNVNURVJRCGBS-DPFRTYBKSA-N

Species of Metabolite	Component	Source	Comments
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:	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:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	(+)-jasplakinolide Z₅ (CHEBI:68280) has role animal metabolite (CHEBI:75767)
	(+)-jasplakinolide Z₅ (CHEBI:68280) has role antineoplastic agent (CHEBI:35610)
	(+)-jasplakinolide Z₅ (CHEBI:68280) has role marine metabolite (CHEBI:76507)
	(+)-jasplakinolide Z₅ (CHEBI:68280) is a carboxylic ester (CHEBI:33308)
	(+)-jasplakinolide Z₅ (CHEBI:68280) is a catechols (CHEBI:33566)
	(+)-jasplakinolide Z₅ (CHEBI:68280) is a depsipeptide (CHEBI:23643)
	(+)-jasplakinolide Z₅ (CHEBI:68280) is a indoles (CHEBI:24828)
	(+)-jasplakinolide Z₅ (CHEBI:68280) is a organobromine compound (CHEBI:37141)

IUPAC Name
N-[(2S,4E,6R,8S)-8-{[3-(3,4-dihydroxyphenyl)-3-oxopropanoyl]oxy}-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-Nα-methyl-D-tryptophanamide

Registry Numbers	Sources
Reaxys:21404713	Reaxys

Citations