CHEBI:77047 - tylosin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tylosin(1+)
ChEBI ID CHEBI:77047
Definition An organic cation that is the conjugate acid of tylosin, obtained by protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C46H78NO17
Net Charge +1
Average Mass 917.10750
Monoisotopic Mass 916.52643
InChI InChI=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
InChIKey WBPYTXDJUQJLPQ-VMXQISHHSA-O
SMILES CC[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]([C@H]2O)[NH+](C)C)[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
ChEBI Ontology
Outgoing 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 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
Synonym Source
tylosin UniProt
Last Modified
11 March 2014