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CHEBI:77047 - tylosin(1+)

ChEBI IDCHEBI:77047
ChEBI Nametylosin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of tylosin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Last Modified11 March 2014
SubmitterKAX
DownloadsMolfile
FormulaC46H78NO17
Net Charge+1
Average Mass917.120
Monoisotopic Mass916.52643
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/p+1/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
InChIKeyWBPYTXDJUQJLPQ-VMXQISHHSA-O
ChEBI Ontology
Outgoing Relation(s)
tylosin(1+) (CHEBI:77047) is a ammonium ion derivative (CHEBI:35274)
tylosin(1+) (CHEBI:77047) is a organic cation (CHEBI:25697)
tylosin(1+) (CHEBI:77047) is conjugate acid of tylosin (CHEBI:17658)
Incoming Relation(s)
tylosin (CHEBI:17658) is conjugate base of tylosin(1+) (CHEBI:77047)
IUPAC Name 
[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl)-3-(dimethylazaniumyl)-β-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-β-D-allopyranoside
UniProt Name  Source
tylosinUniProt