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CHEBI:8732 - Quinupristin

ChEBI IDCHEBI:8732
ChEBI NameQuinupristin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC53H67N9O10S
Net Charge0
Average Mass1022.239
Monoisotopic Mass1021.47316
SMILES[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)OC(=O)[C@H](c1ccccc1)NC(=O)C1CC(=O)C(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](Cc1ccc(N(C)C)cc1)N(C)C2=O
InChIInChI=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
InChIKeyWTHRRGMBUAHGNI-MJWHERSYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Quinupristin (CHEBI:8732) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
QuinupristinKEGG COMPOUND
Manual XrefsDatabases
C08032KEGG COMPOUND
D00852KEGG DRUG
HMDB0015455HMDB
Registry NumbersSources
CAS:120138-50-3KEGG COMPOUND