CHEBI:50647 - alendronate(1-)

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ChEBI Name alendronate(1-)
ChEBI ID CHEBI:50647
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H12NO7P2
Net Charge -1
Average Mass 248.08870
Monoisotopic Mass 248.00945
InChI InChI=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
InChIKey OGSPWJRAVKPPFI-UHFFFAOYSA-M
SMILES NCCCC(O)(P(O)(O)=O)P(O)([O-])=O
ChEBI Ontology
Outgoing alendronate(1-) (CHEBI:50647) is a organic anion (CHEBI:25696)
alendronate(1-) (CHEBI:50647) is conjugate base of alendronic acid (CHEBI:2567)
Incoming 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 Xref Database
LSM-36378 LINCS
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Last Modified
26 February 2016