Chemical Entities of Biological Interest Ontology

Last uploaded: April 1, 2024

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Preferred Name	(-)-selegiline
Synonyms	N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine Selegiline selegiline selegilina selegilinum L-Deprenalin EmSam
ID	http://purl.obolibrary.org/obo/CHEBI_9086
charge	0
database_cross_reference	Patent:US4564706 KEGG:C07245 DrugBank:DB01037 Wikipedia:Selegiline Chemspider:24930 CAS:14611-51-9 Patent:NL6605956 KEGG:D03731 LINCS:LSM-5920 Beilstein:5863318 Drug_Central:2429 PMID:8423709
formula	C13H17N
has role	http://purl.obolibrary.org/obo/CHEBI_176497
has_exact_synonym	N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine
has_obo_namespace	chebi_ontology
has_related_synonym	Selegiline selegiline selegilina selegilinum L-Deprenalin EmSam
id	CHEBI:9086
in_subset	http://purl.obolibrary.org/obo/chebi#3_STAR
inchi	InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
inchikey	MEZLKOACVSPNER-GFCCVEGCSA-N
is conjugate base of	http://purl.obolibrary.org/obo/CHEBI_50350
label	(-)-selegiline
mass	187.28080
monoisotopicmass	187.13610
notation	CHEBI:9086
prefLabel	(-)-selegiline
smiles	C[C@H](Cc1ccccc1)N(C)CC#C
treeView	http://purl.obolibrary.org/obo/CHEBI_73477 http://purl.obolibrary.org/obo/CHEBI_50217
subClassOf	http://purl.obolibrary.org/obo/CHEBI_73477 http://purl.obolibrary.org/obo/CHEBI_50217

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_9086	FIDEO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9086	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_9086	BIOMODELS	SAME_URI
http://stirdf.jst.go.jp/id/200907045359329087	IOBC	LOOM
http://purl.bioontology.org/ontology/LNC/LP18099-9	LOINC	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	NIFSTD	LOOM
http://purl.obolibrary.org/obo/CHEBI_50217	ODNAE	LOOM
http://www.semanticweb.org/ontologies/2011/1/Ontology1296772722296.owl#EPO_00000086	PDON	LOOM
http://purl.obolibrary.org/obo/MESH_D012642	BERO	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148014	ODAE	LOOM
http://purl.bioontology.org/ontology/RXNORM/9639	RXNORM	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148014	NDFRT	LOOM
http://purl.obolibrary.org/obo/CHEBI_9086	FIDEO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9086	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_9086	BIOMODELS	LOOM
http://purl.bioontology.org/ontology/MESH/D012642	MESH	LOOM
http://purl.obolibrary.org/obo/OMIT_0013539	OMIT	LOOM
http://purl.bioontology.org/ontology/VANDF/4019929	VANDF	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#11164	OCHV	LOOM
http://purl.jp/bio/4/id/200906052119717511	IOBC	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU003384	LOINC	LOOM
http://purl.bioontology.org/ontology/ATC/N04BD01	ATC	LOOM
http://purl.bioontology.org/ontology/RCD/x01Br	RCD	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016175	PMAPP-PMO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0036579	OCHV	LOOM
http://purl.obolibrary.org/obo/NCIT_C61938	BERO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61938	NCIT	LOOM
http://purl.bioontology.org/ontology/NDDF/004599	NDDF	LOOM
http://www.drugbank.ca/drugs/DB01037	FTC	LOOM
http://purl.obolibrary.org/obo/dinto_DB01037	DINTO	LOOM
https://go.drugbank.com/drugs/DB01037	MDM	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.092.471.683.915	RH-MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D012642	RH-MESH	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372497003	SNOMEDCT	LOOM