CHEBI:64258 - erythromycin C(1+)

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ChEBI Name erythromycin C(1+) ChEBI ID CHEBI:64258 Definition An erythromycin cation that is the conjugate acid of erythromycin C, arising from protonation of the tertiary amino group on the 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl residue; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H66NO13 Net Charge +1 Average Mass 720.90810 Monoisotopic Mass 720.45287 InChI InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/p+1/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 InChIKey MWFRKHPRXPSWNT-QNPWSHAKSA-O SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ChEBI Ontology Outgoing erythromycin C(1+) (CHEBI:64258) is a erythromycin cation (CHEBI:64290) erythromycin C(1+) (CHEBI:64258) is conjugate acid of erythromycin C (CHEBI:64273) Incoming erythromycin C (CHEBI:64273) is conjugate base of erythromycin C(1+) (CHEBI:64258) IUPAC Name (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylazaniumyl)-β-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione Synonyms Sources erythromycin C UniProt erythromycin C cation ChEBI Manual Xrefs Databases C06616 KEGG COMPOUND CPD-13951 MetaCyc View more database links Citation Type Source 7849045 PubMed citation SUBMITTER Last Modified 23 March 2012