BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

montelukast

Synonyms
Definitions

An alkyl sulfide that has formula C35H36ClNO3S.

ID

http://purl.obolibrary.org/obo/CHEBI_50730

alternative term

MONTELUKAST

{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid

Montelukast

InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1

CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid

1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid

InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N

montelukast

C35H36ClNO3S

definition

An alkyl sulfide that has formula C35H36ClNO3S.

has role

http://purl.obolibrary.org/obo/CHEBI_49159

http://purl.obolibrary.org/obo/CHEBI_49167

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_49165

label

montelukast

prefixIRI

CHEBI:50730

prefLabel

montelukast

subClassOf

http://purl.obolibrary.org/obo/CHEBI_22327

http://purl.obolibrary.org/obo/CHEBI_26513

http://purl.obolibrary.org/obo/CHEBI_25384

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http://purl.obolibrary.org/obo/CHEBI_50730 OBA SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 BAO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 OBA SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 ODNAE SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50730 OBA LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C093875 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022122 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/LP171622-6 LOINC LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026764 PMAPP-PMO LOOM
http://purl.jp/bio/4/id/200906021764461740 IOBC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/373728005 SNOMEDCT LOOM
http://stirdf.jst.go.jp/id/200907072652583289 IOBC LOOM
http://purl.obolibrary.org/obo/NCIT_C66189 BERO LOOM
https://go.drugbank.com/drugs/DB00471 MDM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#27793 OCHV LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000022122 ODAE LOOM
http://purl.bioontology.org/ontology/RXNORM/88249 RXNORM LOOM
http://www.co-ode.org/ontologies/galen#Montelukast GALEN LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 BAO LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 OBA LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_50730 ODNAE LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0298130 OCHV LOOM
http://www.drugbank.ca/drugs/DB00471 FTC LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C66189 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/C093875 MESH LOOM
http://childhealthservicemodels.eu/asthma#MOCHA-Asthma_000121 AO LOOM
http://purl.bioontology.org/ontology/ATC/R03DC03 ATC LOOM
http://purl.bioontology.org/ontology/VANDF/4024117 VANDF LOOM
http://purl.bioontology.org/ontology/NDDF/007256 NDDF LOOM