Bengamide E' (CHEBI:200452)

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CHEBI:200452 - Bengamide E'

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ChEBI ID	CHEBI:200452
ChEBI Name	Bengamide E'
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H32N2O6
Net Charge	0
Average Mass	372.462
Monoisotopic Mass	372.22604
SMILES	CCC(C)/C=C/[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC)C(=O)N[C@H]1CCCCNC1=O
InChI	InChI=1S/C18H32N2O6/c1-4-11(2)8-9-13(21)14(22)15(23)16(26-3)18(25)20-12-7-5-6-10-19-17(12)24/h8-9,11-16,21-23H,4-7,10H2,1-3H3,(H,19,24)(H,20,25)/b9-8+/t11?,12-,13+,14-,15+,16+/m0/s1
InChIKey	GPVKLYONJSSZFL-JGTAQRAESA-N

Species of Metabolite	Component	Source	Comments
Myxococcus (ncbitaxon:32)	-	PubMed (22705020)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Bengamide E' (CHEBI:200452) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]dec-6-enamide

Manual Xrefs	Databases
9420766	ChemSpider