Xefoampeptide E (CHEBI:219329)

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CHEBI:219329 - Xefoampeptide E

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ChEBI ID	CHEBI:219329
ChEBI Name	Xefoampeptide E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H53N3O5
Net Charge	0
Average Mass	523.759
Monoisotopic Mass	523.39852
SMILES	CCCCCCCCC1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1
InChI	InChI=1S/C29H53N3O5/c1-8-9-10-11-12-13-14-22-18-26(33)30-23(15-19(2)3)27(34)31-24(16-20(4)5)28(35)32-25(17-21(6)7)29(36)37-22/h19-25H,8-18H2,1-7H3,(H,30,33)(H,31,34)(H,32,35)/t22?,23-,24+,25+/m1/s1
InChIKey	HRCDGHGLLPDRFZ-RLXSEPNVSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus (ncbitaxon:626)	-	PubMed (28993611)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Xefoampeptide E (CHEBI:219329) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6S,9R)-3,6,9-tris(2-methylpropyl)-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone