Enniatin B1 (CHEBI:201297)

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CHEBI:201297 - Enniatin B1

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ChEBI ID	CHEBI:201297
ChEBI Name	Enniatin B1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H59N3O9
Net Charge	0
Average Mass	653.858
Monoisotopic Mass	653.42513
SMILES	CCC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22?,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey	UQCSETXJXJTMKO-HLRZJIOYSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	DOI (10.1071/ch9781397)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Enniatin B1 (CHEBI:201297) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
410817	ChemSpider