The Prescription of Drugs Ontology

Last uploaded: September 4, 2020
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Preferred Name

quinupristin
Synonyms

Quinupristin
ID

http://purl.obolibrary.org/obo/CHEBI_8732
alternative term

Quinupristin
charge

0
database_cross_reference

KEGG:D00852

HMDB:HMDB0015455

CAS:120138-50-3

KEGG:C08032
formula

C53H67N9O10S
has_exact_synonym

Quinupristin
has_obo_namespace

chebi_ontology
has_RxCUI

229367
id

CHEBI:8732
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
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

quinupristin
mass

1022.221
monoisotopicmass

1021.47316
notation

CHEBI:8732
prefixIRI

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
subClassOf

http://purl.obolibrary.org/obo/CHEBI_35213
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