Enniatin-B2 (CHEBI:203437)

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CHEBI:203437 - Enniatin-B2

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ChEBI ID	CHEBI:203437
ChEBI Name	Enniatin-B2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H55N3O9
Net Charge	0
Average Mass	625.804
Monoisotopic Mass	625.39383
SMILES	CC(C)C1NC(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)OC1=O
InChI	InChI=1S/C32H55N3O9/c1-15(2)21-30(39)43-25(19(9)10)28(37)35(14)23(17(5)6)32(41)44-26(20(11)12)29(38)34(13)22(16(3)4)31(40)42-24(18(7)8)27(36)33-21/h15-26H,1-14H3,(H,33,36)
InChIKey	NUFASKQIWTXKBR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Fusarium acuminatum (ncbitaxon:5515)	-	DOI (10.1021/jf00018a034)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Enniatin-B2 (CHEBI:203437) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
4,10-dimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
78444533	ChemSpider