EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230205 - 11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime

ChEBI IDCHEBI:230205
ChEBI Name11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81N3O14
Net Charge0
Average Mass864.128
Monoisotopic Mass863.57185
SMILESCCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOC)C(C)C(OCOCCN(C)C)C1(C)O
InChIInChI=1S/C43H81N3O14/c1-17-31-43(10,51)38(55-23-54-19-18-45(11)12)26(4)33(44-53-16)24(2)21-41(8,50)37(60-40-34(47)30(46(13)14)20-25(3)56-40)27(5)35(28(6)39(49)58-31)59-32-22-42(9,52-15)36(48)29(7)57-32/h24-32,34-38,40,47-48,50-51H,17-23H2,1-16H3
InChIKeyOYWJWZVRBXELPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime (CHEBI:230205) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
12-[2-(dimethylamino)ethoxymethoxy]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,13-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-10-methoxyimino-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Manual XrefsDatabases
HMDB0251898HMDB
75808ChemSpider