Chemical Entities of Biological Interest Ontology

Last uploaded: May 1, 2024

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Preferred Name	Grepafloxacin
Synonyms	Grepafloxacin tomefloxacin grepafloxacin hydrochloride hydrate grepafloxacin hydrochloride grepafloxacin HCl
ID	http://purl.obolibrary.org/obo/CHEBI_5543
charge	0
database_cross_reference	Drug_Central:1330 KEGG:C11368 HMDB:HMDB0014509 CAS:119914-60-2
formula	C19H22FN3O3
has_exact_synonym	Grepafloxacin
has_obo_namespace	chebi_ontology
has_related_synonym	tomefloxacin grepafloxacin hydrochloride hydrate grepafloxacin hydrochloride grepafloxacin HCl
id	CHEBI:5543
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)
inchikey	AIJTTZAVMXIJGM-UHFFFAOYSA-N
label	Grepafloxacin
mass	359.395
monoisotopicmass	359.16452
notation	CHEBI:5543
prefLabel	Grepafloxacin
smiles	CC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2c(C)c1F)C1CC1
treeView	http://purl.obolibrary.org/obo/CHEBI_87211 http://purl.obolibrary.org/obo/CHEBI_26513 http://purl.obolibrary.org/obo/CHEBI_86324
subClassOf	http://purl.obolibrary.org/obo/CHEBI_87211 http://purl.obolibrary.org/obo/CHEBI_26513 http://purl.obolibrary.org/obo/CHEBI_86324

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_5543	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_5543	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_5543	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_5543	GENEPIO	SAME_URI
http://purl.obolibrary.org/obo/ARO_3000665	ARO	LOOM
http://purl.bioontology.org/ontology/LNC/LP19489-1	LOINC	LOOM
http://purl.bioontology.org/ontology/VANDF/4024097	VANDF	LOOM
http://purl.jp/bio/4/id/200906044042057030	IOBC	LOOM
http://purl.bioontology.org/ontology/MESH/C075375	MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C075375	RH-MESH	LOOM
http://purl.obolibrary.org/obo/CHEBI_5543	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_5543	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_5543	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_5543	GENEPIO	LOOM
http://purl.bioontology.org/ontology/RXNORM/83719	RXNORM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65817	NCIT	LOOM
http://purl.obolibrary.org/obo/dinto_DB00365	DINTO	LOOM
http://purl.bioontology.org/ontology/ATC/J01MA11	ATC	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386892006	SNOMEDCT	LOOM
http://www.co-ode.org/ontologies/galen#Grepafloxacin	GALEN	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022102	NDFRT	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026064	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/NDDF/007022	NDDF	LOOM
http://stirdf.jst.go.jp/id/200907096717096581	IOBC	LOOM
https://go.drugbank.com/drugs/DB00365	MDM	LOOM
http://purl.obolibrary.org/obo/NCIT_C65817	BERO	LOOM
http://purl.bioontology.org/ontology/LNC/MTHU009696	LOINC	LOOM