Unnarmicin C (CHEBI:204534)

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CHEBI:204534 - Unnarmicin C

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ChEBI ID	CHEBI:204534
ChEBI Name	Unnarmicin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H54N4O6
Net Charge	0
Average Mass	662.872
Monoisotopic Mass	662.40434
SMILES	CCCCC[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1
InChI	InChI=1S/C38H54N4O6/c1-6-7-10-19-29-24-34(43)39-30(20-25(2)3)35(44)41-32(22-27-15-11-8-12-16-27)37(46)40-31(21-26(4)5)36(45)42-33(38(47)48-29)23-28-17-13-9-14-18-28/h8-9,11-18,25-26,29-33H,6-7,10,19-24H2,1-5H3,(H,39,43)(H,40,46)(H,41,44)(H,42,45)/t29-,30+,31+,32-,33+/m1/s1
InChIKey	CMHSFIOSEWDMHG-CYEGLCQHSA-N

Species of Metabolite	Component	Source	Comments
Photobacterium (ncbitaxon:657)	-	PubMed (18305354)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Unnarmicin C (CHEBI:204534) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R,12S,16R)-3,9-dibenzyl-6,12-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone

Manual Xrefs	Databases
27023208	ChemSpider