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CHEBI:50647 - alendronate(1-)

ChEBI IDCHEBI:50647
ChEBI Namealendronate(1-)
Stars
Last Modified26 February 2016
SubmitterInma Spiteri
DownloadsMolfile
FormulaC4H12NO7P2
Net Charge-1
Average Mass248.088
Monoisotopic Mass248.00945
SMILESNCCCC(O)(P(=O)([O-])O)P(=O)(O)O
InChIInChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-1
InChIKeyOGSPWJRAVKPPFI-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
alendronate(1-) (CHEBI:50647) is a organic anion (CHEBI:25696)
alendronate(1-) (CHEBI:50647) is conjugate base of alendronic acid (CHEBI:2567)
Incoming Relation(s)
alendronate sodium trihydrate (CHEBI:2566) has part alendronate(1-) (CHEBI:50647)
alendronic acid (CHEBI:2567) is conjugate acid of alendronate(1-) (CHEBI:50647)
IUPAC Name 
hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate
Manual XrefsDatabases
LSM-36378LINCS