Unnarmicin A (CHEBI:202094)

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CHEBI:202094 - Unnarmicin A

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ChEBI ID	CHEBI:202094
ChEBI Name	Unnarmicin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H50N4O6
Net Charge	0
Average Mass	634.818
Monoisotopic Mass	634.37304
SMILES	CCC[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/C36H50N4O6/c1-6-13-27-22-32(41)37-28(18-23(2)3)33(42)39-30(20-25-14-9-7-10-15-25)35(44)38-29(19-24(4)5)34(43)40-31(36(45)46-27)21-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-31H,6,13,18-22H2,1-5H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)/t27-,28+,29+,30-,31+/m1/s1
InChIKey	NATXEXVBDCHDQS-NBCLCUQJSA-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 A (CHEBI:202094) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
27023209	ChemSpider