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CHEBI:221836 - Erythromycin analogue

ChEBI IDCHEBI:221836
ChEBI NameErythromycin analogue
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H71NO12
Net Charge0
Average Mass770.014
Monoisotopic Mass769.49763
SMILESCOC1(C)CC(O[C@H]2[C@H](C)[C@@H](OC3OC(C)CC(N(C)C)C3O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](CC3=CCCC3)OC(=O)[C@@H]2C)OC(C)C1O
InChIInChI=1S/C41H71NO12/c1-21-19-40(8,48)37(54-39-34(45)29(42(10)11)17-22(2)50-39)25(5)35(53-31-20-41(9,49-12)36(46)27(7)51-31)26(6)38(47)52-30(18-28-15-13-14-16-28)23(3)33(44)24(4)32(21)43/h15,21-27,29-31,33-37,39,44-46,48H,13-14,16-20H2,1-12H3/t21-,22?,23+,24+,25+,26-,27?,29?,30-,31?,33+,34?,35+,36?,37-,39?,40-,41?/m1/s1
InChIKeyWHXHXUJVDMWYKB-XEYQNGAASA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora erythraea (ncbitaxon:1836) - PubMed (9918396)
ChEBI Ontology
Outgoing Relation(s)
Erythromycin analogue (CHEBI:221836) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-(cyclopenten-1-ylmethyl)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Manual XrefsDatabases
78445543ChemSpider