Xefoampeptide A (CHEBI:219304)

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CHEBI:219304 - Xefoampeptide A

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ChEBI ID	CHEBI:219304
ChEBI Name	Xefoampeptide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H51N3O5
Net Charge	0
Average Mass	509.732
Monoisotopic Mass	509.38287
SMILES	CCCCCCCC1CC(=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/C28H51N3O5/c1-8-9-10-11-12-13-21-17-25(32)29-22(14-18(2)3)26(33)30-23(15-19(4)5)27(34)31-24(16-20(6)7)28(35)36-21/h18-24H,8-17H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t21?,22-,23+,24+/m1/s1
InChIKey	WNGGOIQLVSSYGX-KCNMBCDYSA-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 A (CHEBI:219304) is a cyclodepsipeptide (CHEBI:35213)

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