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CHEBI:206352 - Enniatin-B3

ChEBI IDCHEBI:206352
ChEBI NameEnniatin-B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53N3O9
Net Charge0
Average Mass611.777
Monoisotopic Mass611.37818
SMILESCC(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)NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C31H53N3O9/c1-14(2)20-29(38)41-23(17(7)8)26(35)33-21(15(3)4)30(39)43-25(19(11)12)28(37)34(13)22(16(5)6)31(40)42-24(18(9)10)27(36)32-20/h14-25H,1-13H3,(H,32,36)(H,33,35)
InChIKeyQFFKZYTWXQBSBH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Fusarium acuminatum (ncbitaxon:5515) - DOI (10.1021/jf00018a034)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enniatin-B3 (CHEBI:206352) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
4-methyl-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 XrefsDatabases
78444534ChemSpider