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CHEBI:63310 - mycinamicin IV(1+)

ChEBI IDCHEBI:63310
ChEBI Namemycinamicin IV(1+)
Stars
DefinitionA mycinamicin cation that is the conjugate acid of mycinamicin IV, obtained by protnation of the tertiary amino group.
Last Modified1 December 2011
SubmitterSteve
DownloadsMolfile
FormulaC37H62NO11
Net Charge+1
Average Mass696.899
Monoisotopic Mass696.43174
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](OC)[C@H]1OC
InChIInChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/p+1/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1
InChIKeyDBTIHDIIXPQOFR-JMHKOBKLSA-O
ChEBI Ontology
Outgoing Relation(s)
mycinamicin IV(1+) (CHEBI:63310) 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-2,3-di-O-methyl-β-D-allopyranoside
Synonym  Source
mycinamicin IV cationChEBI
UniProt Name  Source
mycinamicin IVUniProt