Enniatin J1 (CHEBI:197981)

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CHEBI:197981 - Enniatin J1

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ChEBI ID	CHEBI:197981
ChEBI Name	Enniatin J1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H53N3O9
Net Charge	0
Average Mass	611.777
Monoisotopic Mass	611.37818
SMILES	CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](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/C31H53N3O9/c1-15(2)21-30(39)42-23(17(5)6)26(35)32(12)20(11)29(38)41-24(18(7)8)27(36)33(13)22(16(3)4)31(40)43-25(19(9)10)28(37)34(21)14/h15-25H,1-14H3/t20-,21-,22-,23+,24+,25+/m0/s1
InChIKey	IEUFDXNGDNWAKU-MAKNZWJESA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	PubMed (15165149)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Enniatin J1 (CHEBI:197981) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-3,4,10,16-tetramethyl-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
9988768	ChemSpider