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CHEBI:64649 - enniatin B

ChEBI IDCHEBI:64649
ChEBI Nameenniatin B
Stars
DefinitionAn enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.
Last Modified28 July 2014
SubmitterRebecca Foulger
DownloadsMolfile
FormulaC33H57N3O9
Net Charge0
Average Mass639.831
Monoisotopic Mass639.40948
SMILESCC(C)[C@H]1C(=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)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
InChIKeyMIZMDSVSLSIMSC-VYLWARHZSA-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 B (CHEBI:64649) has role antimicrobial agent (CHEBI:33281)
enniatin B (CHEBI:64649) is a enniatin (CHEBI:64648)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
C15740KEGG COMPOUND
C00018905KNApSAcK
Registry NumbersSources
Reaxys:75191Reaxys
CAS:917-13-5KEGG COMPOUND
CAS:917-13-5ChemIDplus
Citations