Yanucamide A (CHEBI:212093)

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CHEBI:212093 - Yanucamide A

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ChEBI ID	CHEBI:212093
ChEBI Name	Yanucamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H47N3O7
Net Charge	0
Average Mass	597.753
Monoisotopic Mass	597.34140
SMILES	C#CCCCC1OC(=O)CCNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChI	InChI=1S/C33H47N3O7/c1-9-10-12-17-25-33(6,7)32(41)35-27(21(2)3)31(40)43-28(22(4)5)30(39)36(8)24(20-23-15-13-11-14-16-23)29(38)34-19-18-26(37)42-25/h1,11,13-16,21-22,24-25,27-28H,10,12,17-20H2,2-8H3,(H,34,38)(H,35,41)/t24-,25?,27+,28+/m1/s1
InChIKey	UJLAUQGSVXILEB-AEDGQBGKSA-N

Species of Metabolite	Component	Source	Comments
Lyngbya (ncbitaxon:28073)	-	DOI (10.1021/np990466z)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Yanucamide A (CHEBI:212093) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2S,5R,16S)-5-benzyl-4,13,13-trimethyl-12-pent-4-ynyl-2,16-di(propan-2-yl)-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone

Manual Xrefs	Databases
10276180	ChemSpider