CHEBI:64258 - erythromycin C(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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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
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Citation Waiting for Citations Type Source
7849045 PubMed citation SUBMITTER
Last Modified
23 March 2012