(-)-jasplakinolide Z4 (CHEBI:68277)

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CHEBI:68277 - (−)-jasplakinolide Z₄

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ChEBI ID	CHEBI:68277
ChEBI Name	(−)-jasplakinolide Z₄
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ASCII Name	(-)-jasplakinolide Z4
Definition	A depsipeptide isolated from Jaspis splendens.
Last Modified	25 March 2015
Downloads	Molfile

Formula	C27H39BrN4O4
Net Charge	0
Average Mass	563.537
Monoisotopic Mass	562.21547
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(N)=O
InChI	InChI=1S/C27H39BrN4O4/c1-15(11-16(2)13-18(4)33)12-17(3)26(35)30-19(5)27(36)32(6)23(25(29)34)14-21-20-9-7-8-10-22(20)31-24(21)28/h7-11,16-19,23,31,33H,12-14H2,1-6H3,(H2,29,34)(H,30,35)/b15-11+/t16-,17-,18-,19-,23+/m0/s1
InChIKey	XWCIEJNXKGXQCZ-YZTGKPPRSA-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 Z₄ (CHEBI:68277) has role animal metabolite (CHEBI:75767)
	(−)-jasplakinolide Z₄ (CHEBI:68277) has role antineoplastic agent (CHEBI:35610)
	(−)-jasplakinolide Z₄ (CHEBI:68277) has role marine metabolite (CHEBI:76507)
	(−)-jasplakinolide Z₄ (CHEBI:68277) is a depsipeptide (CHEBI:23643)
	(−)-jasplakinolide Z₄ (CHEBI:68277) is a indoles (CHEBI:24828)
	(−)-jasplakinolide Z₄ (CHEBI:68277) is a organobromine compound (CHEBI:37141)

IUPAC Name
N-[(2S,4E,6R,8S)-8-hydroxy-2,4,6-trimethylnon-4-enoyl]-L-alanyl-2-bromo-Nα-methyl-D-tryptophanamide

Registry Numbers	Sources
Reaxys:21404706	Reaxys

Citations