EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223697 - 6-Deoxy-13-cyclopropyl-erythromycin B

ChEBI IDCHEBI:223697
ChEBI Name6-Deoxy-13-cyclopropyl-erythromycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67NO11
Net Charge0
Average Mass713.950
Monoisotopic Mass713.47141
SMILESCOC1(C)CC(O[C@H]2[C@@H](C)[C@@H](OC3OC(C)CC(N(C)C)C3O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C3CC3)OC(=O)[C@@H]2C)OC(C)C1O
InChIInChI=1S/C38H67NO11/c1-18-15-19(2)32(50-37-31(42)27(39(10)11)16-20(3)46-37)23(6)33(48-28-17-38(9,45-12)35(43)25(8)47-28)24(7)36(44)49-34(26-13-14-26)22(5)30(41)21(4)29(18)40/h18-28,30-35,37,41-43H,13-17H2,1-12H3/t18-,19+,20?,21+,22-,23+,24-,25?,27?,28?,30-,31?,32+,33+,34+,35?,37?,38?/m1/s1
InChIKeyQZQXOYFOFWGSFM-DVOWBWSNSA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora erythraea (ncbitaxon:1836) - PubMed (10580387)
ChEBI Ontology
Outgoing Relation(s)
6-Deoxy-13-cyclopropyl-erythromycin B (CHEBI:223697) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Manual XrefsDatabases
78445546ChemSpider