CHEBI:177760 - terbogrel

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name terbogrel
ChEBI ID CHEBI:177760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H27N5O2
Net Charge 0
Average Mass 405.502
Monoisotopic Mass 405.21648
InChI InChI=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+
InChIKey XUTLOCQNGLJNSA-RGVLZGJSSA-N
SMILES OC(=O)CCC/C=C(\C1=CC(N\C(=N\C(C)(C)C)\NC#N)=CC=C1)/C=2C=CC=NC2
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4952549 ChemSpider
D06077 KEGG DRUG
DB12204 KEGG DRUG
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Registry Number Type Source
149979-74-8 CAS Registry Number ChemIDplus