EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39895 - 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM

Default Structure
ChEBI IDCHEBI:39895
ChEBI Name3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC19H20NO7P2
Net Charge+1
Average Mass436.317
Monoisotopic Mass436.07095
SMILES[H]OC(C([H])([H])[n+]1c([H])c([H])c([H])c(-c2c([H])c([H])c([H])c(-c3c([H])c([H])c([H])c([H])c3[H])c2[H])c1[H])(P(=O)(O[H])O[H])P(=O)(O[H])O[H]
InChIInChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1
InChIKeySFGYQDTXSJEVCC-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM (CHEBI:39895) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridiniumPDBeChem
3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMPDBeChem
Manual XrefsDatabases
364PDBeChem