Xefoampeptide B (CHEBI:219311)

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CHEBI:219311 - Xefoampeptide B

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ChEBI ID	CHEBI:219311
ChEBI Name	Xefoampeptide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H49N3O5
Net Charge	0
Average Mass	495.705
Monoisotopic Mass	495.36722
SMILES	CCCCCCCC1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O1
InChI	InChI=1S/C27H49N3O5/c1-8-9-10-11-12-13-20-16-23(31)28-21(14-17(2)3)25(32)29-22(15-18(4)5)26(33)30-24(19(6)7)27(34)35-20/h17-22,24H,8-16H2,1-7H3,(H,28,31)(H,29,32)(H,30,33)/t20?,21-,22+,24+/m1/s1
InChIKey	RIVIZKRGLRRTMP-FIBFUGQRSA-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 B (CHEBI:219311) is a cyclodepsipeptide (CHEBI:35213)

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