Enniatin A2 (CHEBI:216436)

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CHEBI:216436 - Enniatin A2

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ChEBI ID	CHEBI:216436
ChEBI Name	Enniatin A2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H63N3O9
Net Charge	0
Average Mass	681.912
Monoisotopic Mass	681.45643
SMILES	CCC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)CC)C(=O)O[C@H](C(C)C)C(=O)N1C
InChI	InChI=1S/C36H63N3O9/c1-16-23(11)26-35(44)47-28(20(5)6)31(40)37(13)25(18-19(3)4)34(43)46-29(21(7)8)32(41)38(14)27(24(12)17-2)36(45)48-30(22(9)10)33(42)39(26)15/h19-30H,16-18H2,1-15H3/t23?,24?,25-,26-,27-,28+,29+,30+/m0/s1
InChIKey	VMUDDRIYPOJBCX-NVNMXTJUSA-N

Species of Metabolite	Component	Source	Comments
Fusarium (ncbitaxon:5506)	-	DOI (10.1139/v92-165)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Enniatin A2 (CHEBI:216436) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
8253836	ChemSpider