CHEBI:63311 - mycinamicin VI(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mycinamicin VI(1+)
ChEBI ID CHEBI:63311
Definition A mycinamicin cation that is the conjugate acid of mycinamicin VI, obtained by protnation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H58NO11
Net Charge +1
Average Mass 668.83510
Monoisotopic Mass 668.40044
InChI InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/p+1/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChIKey ORPUAOXOPLNKNG-GEUQSOIWSA-O
SMILES CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[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]1O
ChEBI Ontology
Outgoing mycinamicin VI(1+) (CHEBI:63311) 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-β-D-allopyranoside
Synonyms Sources
mycinamicin VI UniProt
mycinamicin VI cation ChEBI
Last Modified
01 December 2011