Preferred Name

Quinupristin

Synonyms

Quinupristin

ID

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

charge

0

database_cross_reference

KEGG:C08032

CAS:120138-50-3

KEGG:D00852

HMDB:HMDB0015455

formula

C53H67N9O10S

has_exact_synonym

Quinupristin

has_obo_namespace

chebi_ontology

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

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

treeView

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

subClassOf

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

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http://purl.obolibrary.org/obo/ARO_3000584 ARO LOOM
http://purl.bioontology.org/ontology/MESH/C113825 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4021184 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_8732 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_8732 GENEPIO SAME_URI
http://purl.obolibrary.org/obo/DRON_00012969 DRON LOOM
http://purl.obolibrary.org/obo/dinto_DB01369 DINTO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0756081 OCHV LOOM
http://www.co-ode.org/ontologies/galen#Quinupristin GALEN LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0006118 DDO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0006118 DMTO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148631 NDFRT LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0006121 FASTO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0006121 DDO LOOM
http://purl.obolibrary.org/obo/DDO.owl#DDO_0006121 DMTO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387015002 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#48597 OCHV LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47701 NCIT LOOM
http://purl.bioontology.org/ontology/RXNORM/229367 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C113825 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/007887 NDDF LOOM