Chemical Entities of Biological Interest Ontology

Last uploaded: November 5, 2024

Preferred Name	omapatrilat
Synonyms	BMS-186716
ID	http://purl.obolibrary.org/obo/CHEBI_135660
charge	0
database_cross_reference	CAS:167305-00-2 Drug_Central:1989
formula	C19H24N2O4S2
has_obo_namespace	chebi_ontology
has_related_synonym	BMS-186716
id	CHEBI:135660
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
inchikey	LVRLSYPNFFBYCZ-VGWMRTNUSA-N
label	omapatrilat
mass	408.538
monoisotopicmass	408.11775
notation	CHEBI:135660
prefLabel	omapatrilat
smiles	C(O)(=O)[C@H]1N2[C@](CCC1)(SCC[C@@H](C2=O)NC([C@H](CC3=CC=CC=C3)S)=O)[H]
treeView	http://purl.obolibrary.org/obo/CHEBI_46761
subClassOf	http://purl.obolibrary.org/obo/CHEBI_46761

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_135660	BERO	SAME_URI
https://go.drugbank.com/drugs/DB00886	MDM	LOOM
http://purl.bioontology.org/ontology/MESH/C106266	MESH	LOOM
http://purl.bioontology.org/ontology/VANDF/4025254	VANDF	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0663645	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C106266	RH-MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_135660	BERO	LOOM
http://bmi.utah.edu/ontologies/hfontology/C0663645	HFO	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1782	NCIT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#42525	OCHV	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171784	NDFRT	LOOM
http://purl.obolibrary.org/obo/NCIT_C1782	BERO	LOOM