CHEBI:82576 - 1-(3-Pyridinyl)-1,4-butanediol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3-Pyridinyl)-1,4-butanediol
ChEBI ID CHEBI:82576
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H13NO2
Net Charge 0
Average Mass 167.20500
Monoisotopic Mass 167.09463
InChI InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2
InChIKey RGJHRVMTLGLFPX-UHFFFAOYSA-N
SMILES OCCCC(O)c1cccnc1
ChEBI Ontology
Outgoing 1-(3-Pyridinyl)-1,4-butanediol (CHEBI:82576) is a pyridines (CHEBI:26421)
Manual Xrefs Databases
C19582 KEGG COMPOUND
HMDB0062266 HMDB
View more database links
Registry Number Type Source
76014-83-0 CAS Registry Number KEGG COMPOUND