CHEBI:8732 - Quinupristin

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ChEBI Name Quinupristin ChEBI ID CHEBI:8732 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C53H67N9O10S Net Charge 0 Average Mass 1022.221 Monoisotopic Mass 1021.47316 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 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 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing Quinupristin (CHEBI:8732) is a cyclodepsipeptide (CHEBI:35213) Synonym Source Quinupristin KEGG COMPOUND Manual Xrefs Databases C08032 KEGG COMPOUND D00852 KEGG DRUG HMDB0015455 HMDB View more database links Registry Number Type Source 120138-50-3 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014