EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176304 - Azythromycin

ChEBI IDCHEBI:176304
ChEBI NameAzythromycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H72N2O12
Net Charge0
Average Mass748.996
Monoisotopic Mass748.50853
SMILESCC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[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)[C@@](C)(O)C[C@H](C)CN(C)[C@@H](C)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,35+,36-,37-,38+/m0/s1
InChIKeyMQTOSJVFKKJCRP-HHZDEWPHSA-N
ChEBI Ontology
Outgoing Relation(s)
Azythromycin (CHEBI:176304) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(2S,3S,4R,5S,8S,10S,11S,12R,13S,14R)-11-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
Manual XrefsDatabases
HMDB0001916HMDB
30776548ChemSpider
C06838KEGG COMPOUND
CPD-13808MetaCyc