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CHEBI:211966 - 7-Hydroxy-6-demethyl-6-deoxyerythromycin D

ChEBI IDCHEBI:211966
ChEBI Name7-Hydroxy-6-demethyl-6-deoxyerythromycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H63NO12
Net Charge0
Average Mass689.884
Monoisotopic Mass689.43503
SMILESCC[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](N(C)C)[C@H]2O)CC(O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C35H63NO12/c1-12-25-18(4)29(39)20(6)28(38)17(3)24(37)14-26(47-34-30(40)23(36(10)11)13-16(2)44-34)19(5)31(21(7)33(42)46-25)48-27-15-35(9,43)32(41)22(8)45-27/h16-27,29-32,34,37,39-41,43H,12-15H2,1-11H3/t16-,17-,18+,19-,20+,21-,22+,23+,24?,25-,26+,27+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKeyXVXOJKBKQGAYIQ-JAJOCDMZSA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora erythraea (ncbitaxon:1836) - PubMed (15032488)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-6-demethyl-6-deoxyerythromycin D (CHEBI:211966) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5R,6S,9R,11R,12S,13R,14R)-4-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-8,12-dihydroxy-3,5,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
Manual XrefsDatabases
78440477ChemSpider