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CHEBI:64650 - enniatin B4

ChEBI IDCHEBI:64650
ChEBI Nameenniatin B4
Stars
DefinitionAn enniatin obtained from formal cyclocondensation of one N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-leucine and two N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.
Last Modified28 July 2014
SubmitterRebecca Foulger
DownloadsMolfile
FormulaC34H59N3O9
Net Charge0
Average Mass653.858
Monoisotopic Mass653.42513
SMILESCC(C)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/C34H59N3O9/c1-17(2)16-23-32(41)44-27(21(9)10)30(39)36(14)25(19(5)6)34(43)46-28(22(11)12)31(40)37(15)24(18(3)4)33(42)45-26(20(7)8)29(38)35(23)13/h17-28H,16H2,1-15H3/t23-,24-,25-,26+,27+,28+/m0/s1
InChIKeyPKDCQKBQAKLZBD-SCUYQTRWSA-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:
ionophore  A compound which can carry specific ions through membranes of cells or organelles.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
enniatin B4 (CHEBI:64650) is a enniatin (CHEBI:64648)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-3-isobutyl-6,9,12,15,18-pentaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Synonyms  Source
enniatin DSUBMITTER
Enniatin DKEGG COMPOUND
Manual XrefsDatabases
C15757KEGG COMPOUND
EP1721901Patent
C00018906KNApSAcK
C00016733KNApSAcK
Registry NumbersSources
Reaxys:9306191Reaxys
Citations