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CHEBI:201464 - Erythromycin A Dihydrate

ChEBI IDCHEBI:201464
ChEBI NameErythromycin A Dihydrate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67NO13.2H2O
Net Charge0
Average Mass769.967
Monoisotopic Mass769.48237
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O.O.O
InChIInChI=1S/C37H67NO13.2H2O/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;2*1H2
InChIKeyIWGQNYZQLVGGCS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Erythromycin A Dihydrate (CHEBI:201464) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;dihydrate
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