Enniatin J2 (CHEBI:198093)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198093 - Enniatin J2

Take structure to advanced search

ChEBI ID	CHEBI:198093
ChEBI Name	Enniatin J2
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H55N3O9
Net Charge	0
Average Mass	625.804
Monoisotopic Mass	625.39383
SMILES	CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(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/C32H55N3O9/c1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21?,22-,23-,24+,25+,26+/m0/s1
InChIKey	XAMQMLHUKZPWHG-BXEKCNPMSA-N

Species of Metabolite	Component	Source	Comments
Fusariumspecies (ncbitaxon:29916)	-	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 J2 (CHEBI:198093) is a cyclodepsipeptide (CHEBI:35213)

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

Manual Xrefs	Databases
78436320	ChemSpider