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CHEBI:64651 - enniatin A

ChEBI IDCHEBI:64651
ChEBI Nameenniatin A
Stars
DefinitionAn enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-isoleucine units.
Last Modified24 May 2012
SubmitterRebecca Foulger
DownloadsMolfile
FormulaC36H63N3O9
Net Charge0
Average Mass681.912
Monoisotopic Mass681.45643
SMILESCC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/m0/s1
InChIKeyTWHBYJSVDCWICV-BHZTXFQCSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ionophore  A compound which can carry specific ions through membranes of cells or organelles.
mycotoxin  Poisonous substance produced by fungi.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
enniatin A (CHEBI:64651) has role antimicrobial agent (CHEBI:33281)
enniatin A (CHEBI:64651) is a enniatin (CHEBI:64648)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,9,15-tri[(2S)-butan-2-yl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonym  Source
Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl)ChemIDplus
Registry NumbersSources
Reaxys:7614579Reaxys
CAS:2503-13-1ChemIDplus
Citations