Chemical Entities of Biological Interest Ontology

Last uploaded: November 5, 2024

Preferred Name	ridogrel
Synonyms	R68070 R-68070 R 68070
ID	http://purl.obolibrary.org/obo/CHEBI_135542
charge	0
database_cross_reference	Drug_Central:2375 CAS:110140-89-1 HMDB:HMDB0015338
formula	C18H17F3N2O3
has_obo_namespace	chebi_ontology
has_related_synonym	R68070 R-68070 R 68070
id	CHEBI:135542
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
inchikey	GLLPUTYLZIKEGF-HAVVHWLPSA-N
label	ridogrel
mass	366.335
monoisotopicmass	366.11913
notation	CHEBI:135542
prefLabel	ridogrel
smiles	C(=N\OCCCCC(O)=O)(\C1=CC(C(F)(F)F)=CC=C1)/C=2C=CC=NC2
treeView	http://purl.obolibrary.org/obo/CHEBI_83565
subClassOf	http://purl.obolibrary.org/obo/CHEBI_83565

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_135542	BERO	SAME_URI
https://go.drugbank.com/drugs/DB01207	MDM	LOOM
http://purl.obolibrary.org/obo/dinto_DB01207	DINTO	LOOM
http://purl.bioontology.org/ontology/MESH/C060219	MESH	LOOM
http://stirdf.jst.go.jp/id/200907057174116379	IOBC	LOOM
http://purl.obolibrary.org/obo/NCIT_C96931	BERO	LOOM
http://www.drugbank.ca/drugs/DB01207	FTC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C060219	RH-MESH	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C96931	NCIT	LOOM
http://purl.obolibrary.org/obo/CHEBI_135542	BERO	LOOM
http://purl.jp/bio/4/id/200906011394458773	IOBC	LOOM