loading...| Preferred Name |
Retapamulin |
|
| Synonyms |
[(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 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_166679 |
|
| charge |
0 |
|
| database_cross_reference |
HMDB:HMDB0015386 LINCS:LSM-45949 Chemspider:5293659 |
|
| formula |
C30H47NO4S |
|
| has_exact_synonym |
[(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 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:166679 |
|
| in_subset | ||
| inchi |
InChI=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 |
|
| inchikey |
STZYTFJPGGDRJD-FJJJPKKESA-N |
|
| label |
Retapamulin |
|
| mass |
517.770 |
|
| monoisotopicmass |
517.32258 |
|
| notation |
CHEBI:166679 |
|
| prefLabel |
Retapamulin |
|
| smiles |
S(C1C[C@@]2(N([C@](C1)(CC2)[H])C)[H])CC(O[C@H]3[C@]4([C@]5([C@@]([C@H]([C@H](O)[C@](C3)(C)C=C)C)(CC[C@H]4C)CCC5=O)[H])C)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38032 |