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CHEBI:166679 - Retapamulin

ChEBI IDCHEBI:166679
ChEBI NameRetapamulin
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FormulaC30H47NO4S
Net Charge0
Average Mass517.776
Monoisotopic Mass517.32258
SMILES[H][C@]12CC[C@]([H])(CC(SCC(=O)O[C@@H]3C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]45CCC(=O)[C@@]4([H])[C@@]3(C)[C@H](C)CC5)C1)N2C
InChIInChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
InChIKeySTZYTFJPGGDRJD-FJJJPKKESA-N
ChEBI Ontology
Outgoing Relation(s)
Retapamulin (CHEBI:166679) is a carbotricyclic compound (CHEBI:38032)
Retapamulin (CHEBI:166679) is a carboxylic ester (CHEBI:33308)
Retapamulin (CHEBI:166679) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulanyl]acetate
Manual XrefsDatabases
LSM-45949LINCS
HMDB0015386HMDB
5293659ChemSpider