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CHEBI:64268 - erythromycin A(1+)

Default Structure
ChEBI IDCHEBI:64268
ChEBI Nameerythromycin A(1+)
Stars
DefinitionAn erythromycin cation that is the conjugate acid of erythromycin A, 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.
Last Modified17 June 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC37H68NO13
Net Charge+1
Average Mass734.945
Monoisotopic Mass734.46852
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/p+1/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKeyULGZDMOVFRHVEP-RWJQBGPGSA-O
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
erythromycin A(1+) (CHEBI:64268) has role bacterial metabolite (CHEBI:76969)
erythromycin A(1+) (CHEBI:64268) is a erythromycin cation (CHEBI:64290)
erythromycin A(1+) (CHEBI:64268) is conjugate acid of erythromycin A (CHEBI:42355)
Incoming Relation(s)
erythromycin A (CHEBI:42355) is conjugate base of erythromycin A(1+) (CHEBI:64268)
Synonym  Source
erythromycin A cationChEBI
UniProt Name  Source
erythromycin AUniProt
Manual XrefsDatabases
CPD-13804MetaCyc