loading...| Preferred Name |
Quinupristin |
|
| Synonyms |
Quinupristin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8732 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:120138-50-3 KEGG:D00852 HMDB:HMDB0015455 KEGG:C08032 |
|
| formula |
C53H67N9O10S |
|
| has_exact_synonym |
Quinupristin |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:8732 |
|
| in_subset | ||
| inchi |
InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35?,37-,38+,39?,40+,43-,44+,45+/m1/s1 |
|
| inchikey |
WTHRRGMBUAHGNI-MJWHERSYSA-N |
|
| label |
Quinupristin |
|
| mass |
1022.221 |
|
| monoisotopicmass |
1021.47316 |
|
| notation |
CHEBI:8732 |
|
| prefLabel |
Quinupristin |
|
| smiles |
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(cc2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)c1ccccc1 |
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| treeView | ||
| subClassOf |