BioModels Ontology

Last uploaded: April 3, 2012
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Preferred Name

sitagliptin
Synonyms
Definitions

A triazolopyrazine that has formula C16H15F6N5O.
ID

http://purl.obolibrary.org/obo/CHEBI_40237
alternative term

N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE

InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1

C16H15F6N5O

(3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

InChIKey=MFFMDFFZMYYVKS-SECBINFHSA-N

MK-0431
definition

A triazolopyrazine that has formula C16H15F6N5O.
has role

http://purl.obolibrary.org/obo/CHEBI_48353
label

sitagliptin
prefixIRI

CHEBI:40237
prefLabel

sitagliptin
subClassOf

http://purl.obolibrary.org/obo/CHEBI_37143

http://purl.obolibrary.org/obo/CHEBI_48277
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http://purl.obolibrary.org/obo/CHEBI_40237 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 NIFSTD SAME_URI
http://purl.obolibrary.org/obo/CHEBI_40237 CHEBI LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C496398 RH-MESH LOOM
http://www.drugbank.ca/drugs/DB01261 FTC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/423307000 SNOMEDCT LOOM
http://purl.jp/bio/4/id/200906039748025960 IOBC LOOM
http://purl.obolibrary.org/obo/NCIT_C73838 BERO LOOM
https://go.drugbank.com/drugs/DB01261 MDM LOOM
http://purl.bioontology.org/ontology/NDDF/011790 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C73838 NCIT LOOM
https://bioportal.bioontology.org/ontologies/DMTO.owl#DMTO_0001553 MIDO LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000176069 NDFRT LOOM
http://purl.bioontology.org/ontology/VANDF/4025780 VANDF LOOM
http://mimi.case.edu/ontologies/2009/9/DrugOntology#sitagliptin SDO LOOM
http://purl.bioontology.org/ontology/RXNORM/593411 RXNORM LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_40237 NIFSTD LOOM
http://purl.bioontology.org/ontology/ATC/A10BH01 ATC LOOM
http://stirdf.jst.go.jp/id/200907060206373264 IOBC LOOM