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CHEBI:207846 - 13-Cyclopentyl-13-desmethyl-erythromycin

ChEBI IDCHEBI:207846
ChEBI Name13-Cyclopentyl-13-desmethyl-erythromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H71NO12
Net Charge0
Average Mass758.003
Monoisotopic Mass757.49763
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](C3CCCC3)OC(=O)[C@@H]2C)OC(C)C1O
InChIInChI=1S/C40H71NO12/c1-20-18-39(8,47)36(53-38-32(44)28(41(10)11)17-21(2)49-38)24(5)33(51-29-19-40(9,48-12)35(45)26(7)50-29)25(6)37(46)52-34(27-15-13-14-16-27)23(4)31(43)22(3)30(20)42/h20-29,31-36,38,43-45,47H,13-19H2,1-12H3/t20-,21?,22+,23-,24+,25-,26?,28?,29?,31-,32?,33+,34+,35?,36-,38?,39-,40?/m1/s1
InChIKeyGKJQBFZXGVSLLG-NLQFPUDDSA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora erythraea (ncbitaxon:1836) - PubMed (9918396)
ChEBI Ontology
Outgoing Relation(s)
13-Cyclopentyl-13-desmethyl-erythromycin (CHEBI:207846) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-cyclopentyl-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
78445536ChemSpider