EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201579 - Decladinose Roxithromycin

ChEBI IDCHEBI:201579
ChEBI NameDecladinose Roxithromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H62N2O12
Net Charge0
Average Mass678.861
Monoisotopic Mass678.43028
SMILESCCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O
InChIInChI=1S/C33H62N2O12/c1-12-24-33(8,41)28(38)20(4)25(34-44-17-43-14-13-42-11)18(2)16-32(7,40)29(21(5)26(36)22(6)30(39)46-24)47-31-27(37)23(35(9)10)15-19(3)45-31/h18-24,26-29,31,36-38,40-41H,12-17H2,1-11H3
InChIKeyBNZRPTCUAOMSSH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Decladinose Roxithromycin (CHEBI:201579) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,7,12,13-tetrahydroxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Manual XrefsDatabases
10191277ChemSpider