Yanucamide B (CHEBI:201257)

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CHEBI:201257 - Yanucamide B

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ChEBI ID	CHEBI:201257
ChEBI Name	Yanucamide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H49N3O7
Net Charge	0
Average Mass	611.780
Monoisotopic Mass	611.35705
SMILES	C#CCCCC1OC(=O)CCNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H]([C@@H](C)CC)NC(=O)C1(C)C
InChI	InChI=1S/C34H49N3O7/c1-9-11-13-18-26-34(6,7)33(42)36-28(23(5)10-2)32(41)44-29(22(3)4)31(40)37(8)25(21-24-16-14-12-15-17-24)30(39)35-20-19-27(38)43-26/h1,12,14-17,22-23,25-26,28-29H,10-11,13,18-21H2,2-8H3,(H,35,39)(H,36,42)/t23-,25+,26?,28-,29-/m0/s1
InChIKey	YGNYZDWBKLMWKA-CMOSHRNSSA-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 B (CHEBI:201257) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
10276181	ChemSpider