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CHEBI:177760 - terbogrel

ChEBI IDCHEBI:177760
ChEBI Nameterbogrel
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27N5O2
Net Charge0
Average Mass405.502
Monoisotopic Mass405.21648
SMILESCC(C)(C)/N=C(\NC#N)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1
InChIInChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+
InChIKeyXUTLOCQNGLJNSA-RGVLZGJSSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
terbogrel (CHEBI:177760) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(E)-6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
Manual XrefsDatabases
D06077KEGG DRUG
4952549ChemSpider
DB12204DrugBank
Registry NumbersSources
CAS:149979-74-8ChemIDplus