Leualacin B (CHEBI:206712)

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CHEBI:206712 - Leualacin B

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ChEBI ID	CHEBI:206712
ChEBI Name	Leualacin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H49N3O7
Net Charge	0
Average Mass	587.758
Monoisotopic Mass	587.35705
SMILES	CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)[C@H](C)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
InChI	InChI=1S/C32H49N3O7/c1-19(2)14-24-32(40)42-27(16-21(5)6)30(38)35(8)25(17-23-12-10-9-11-13-23)28(36)33-18-22(7)31(39)41-26(15-20(3)4)29(37)34-24/h9-13,19-22,24-27H,14-18H2,1-8H3,(H,33,36)(H,34,37)/t22-,24+,25+,26-,27+/m1/s1
InChIKey	PEMAMRSZAFPWDB-UOJUTNHLSA-N

Species of Metabolite	Component	Source	Comments
Hapsidospora irregularis (ncbitaxon:95324)	-	PubMed (28106998)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Leualacin B (CHEBI:206712) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(2R,5S,8S,11S,15R)-11-benzyl-10,15-dimethyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone

Manual Xrefs	Databases
78438913	ChemSpider