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CHEBI:63308 - mycinamicin III(1+)

Default Structure
ChEBI IDCHEBI:63308
ChEBI Namemycinamicin III(1+)
Stars
DefinitionA mycinamicin cation that is the conjugate acid of mycinamicin III, obtained by protnation of the tertiary amino group.
Last Modified1 December 2011
SubmitterSteve
DownloadsMolfile
FormulaC36H60NO11
Net Charge+1
Average Mass682.872
Monoisotopic Mass682.41609
SMILESCC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC
InChIInChI=1S/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/p+1/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1
InChIKeyFPIDCOOKEJFXFI-WKUFBULYSA-O
ChEBI Ontology
Outgoing Relation(s)
mycinamicin III(1+) (CHEBI:63308) is a mycinamicin cation (CHEBI:63309)
IUPAC Name 
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-2-O-methyl-β-D-allopyranoside
Synonym  Source
mycinamicin III cationChEBI
UniProt Name  Source
mycinamicin IIIUniProt