Scopularide D (CHEBI:208726)

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CHEBI:208726 - Scopularide D

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ChEBI ID	CHEBI:208726
ChEBI Name	Scopularide D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H63N5O7
Net Charge	0
Average Mass	665.917
Monoisotopic Mass	665.47275
SMILES	CCCCCC[C@H](C)C[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O1
InChI	InChI=1S/C35H63N5O7/c1-11-12-13-14-15-23(8)17-24(9)27-18-28(41)36-19-29(42)39-30(21(4)5)34(45)38-26(16-20(2)3)33(44)37-25(10)32(43)40-31(22(6)7)35(46)47-27/h20-27,30-31H,11-19H2,1-10H3,(H,36,41)(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t23-,24-,25-,26+,27-,30-,31-/m0/s1
InChIKey	CSJVUDGCIHMRRC-ORJUUISASA-N

Species of Metabolite	Component	Source	Comments
Beauveria (ncbitaxon:5581)	-	PubMed (31426405)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Scopularide D (CHEBI:208726) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S,19S)-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
77006268	ChemSpider