(+)-jasplakinolide Z1 (CHEBI:68274)

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CHEBI:68274 - (+)-jasplakinolide Z₁

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ChEBI ID	CHEBI:68274
ChEBI Name	(+)-jasplakinolide Z₁
Stars
ASCII Name	(+)-jasplakinolide Z1
Definition	A depsipeptide isolated from Jaspis splendens.
Last Modified	13 April 2015
Downloads	Molfile

Formula	C36H47BrN4O7
Net Charge	0
Average Mass	727.697
Monoisotopic Mass	726.26281
SMILES	C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)nc2ccccc12)C(=O)N[C@H](CC(=O)O)c1ccc(O)cc1
InChI	InChI=1S/C36H47BrN4O7/c1-20(15-21(2)17-23(4)42)16-22(3)34(46)38-24(5)36(48)41(6)31(18-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(19-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30+,31+/m0/s1
InChIKey	PPXQSUWEWPAOGM-DHKPLNAMSA-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:	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 Z₁ (CHEBI:68274) has role animal metabolite (CHEBI:75767)
	(+)-jasplakinolide Z₁ (CHEBI:68274) has role antineoplastic agent (CHEBI:35610)
	(+)-jasplakinolide Z₁ (CHEBI:68274) has role marine metabolite (CHEBI:76507)
	(+)-jasplakinolide Z₁ (CHEBI:68274) is a depsipeptide (CHEBI:23643)
	(+)-jasplakinolide Z₁ (CHEBI:68274) is a indoles (CHEBI:24828)
	(+)-jasplakinolide Z₁ (CHEBI:68274) is a organobromine compound (CHEBI:37141)
	(+)-jasplakinolide Z₁ (CHEBI:68274) 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)-2-carboxy-1-(4-hydroxyphenyl)ethyl]-Nα-methyl-D-tryptophanamide

Registry Numbers	Sources
Reaxys:21404708	Reaxys

Citations