Bacilotetrin B (CHEBI:208495)

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CHEBI:208495 - Bacilotetrin B

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ChEBI ID	CHEBI:208495
ChEBI Name	Bacilotetrin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C38H68N4O8
Net Charge	0
Average Mass	708.982
Monoisotopic Mass	708.50372
SMILES	CCC(C)CC(C)CCCCC[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/C38H68N4O8/c1-10-26(8)21-27(9)14-12-11-13-15-28-22-33(43)39-30(18-23(2)3)35(46)41-32(20-25(6)7)37(48)42-31(19-24(4)5)36(47)40-29(38(49)50-28)16-17-34(44)45/h23-32H,10-22H2,1-9H3,(H,39,43)(H,40,47)(H,41,46)(H,42,48)(H,44,45)/t26?,27?,28-,29+,30+,31+,32+/m1/s1
InChIKey	RCQCIWWLTXGNOL-SMSJGLPFSA-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 B (CHEBI:208495) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
3-[(3S,6S,9S,12S,16R)-16-(6,8-dimethyldecyl)-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
62765039	ChemSpider