Bacilotetrin A (CHEBI:208491)

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CHEBI:208491 - Bacilotetrin A

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ChEBI ID	CHEBI:208491
ChEBI Name	Bacilotetrin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C37H66N4O8
Net Charge	0
Average Mass	694.955
Monoisotopic Mass	694.48807
SMILES	CCC(C)CCCCCCC[C@@H]1CC(=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)N[C@@H](CCC(=O)O)C(=O)O1
InChI	InChI=1S/C37H66N4O8/c1-9-26(8)15-13-11-10-12-14-16-27-22-32(42)38-29(19-23(2)3)34(45)40-31(21-25(6)7)36(47)41-30(20-24(4)5)35(46)39-28(37(48)49-27)17-18-33(43)44/h23-31H,9-22H2,1-8H3,(H,38,42)(H,39,46)(H,40,45)(H,41,47)(H,43,44)/t26?,27-,28+,29+,30+,31+/m1/s1
InChIKey	UBOCYUXOELCZII-REVKYEQOSA-N

Species of Metabolite	Component	Source	Comments
Bacillus (ncbitaxon:1386)	-	PubMed (29115831)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Bacilotetrin A (CHEBI:208491) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
3-[(3S,6S,9S,12S,16R)-16-(8-methyldecyl)-6,9,12-tris(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-3-yl]propanoic acid

Manual Xrefs	Databases
62765038	ChemSpider