Sunshinamide (CHEBI:219800)

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CHEBI:219800 - Sunshinamide

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ChEBI ID	CHEBI:219800
ChEBI Name	Sunshinamide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H35N3O5S2
Net Charge	0
Average Mass	521.705
Monoisotopic Mass	521.20181
SMILES	CCCCCCCC1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CSSC[C@H](NC2=O)C(=O)O1
InChI	InChI=1S/C25H35N3O5S2/c1-2-3-4-5-9-12-18-14-22(29)26-19(13-17-10-7-6-8-11-17)23(30)27-20-15-34-35-16-21(25(32)33-18)28-24(20)31/h6-8,10-11,18-21H,2-5,9,12-16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18?,19-,20+,21+/m1/s1
InChIKey	KFYDPFIYPBXQLG-IWORHSITSA-N

Species of Metabolite	Component	Source	Comments
Gynuella sunshinyii (ncbitaxon:1445505)	-	PubMed (30025185)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Sunshinamide (CHEBI:219800) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(1R,4R,11R)-4-benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone

Manual Xrefs	Databases
78443360	ChemSpider