CHEBI:63308 - mycinamicin III(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mycinamicin III(1+)
ChEBI ID CHEBI:63308
Definition A mycinamicin cation that is the conjugate acid of mycinamicin III, obtained by protnation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H60NO11
Net Charge +1
Average Mass 682.86170
Monoisotopic Mass 682.41609
InChI InChI=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
InChIKey FPIDCOOKEJFXFI-WKUFBULYSA-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]1OC
ChEBI Ontology
Outgoing 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
Synonyms Sources
mycinamicin III UniProt
mycinamicin III cation ChEBI
Last Modified
01 December 2011