Chemical Components in the PDB

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RIS : Summary

Code

RIS

One-letter code

X

Molecule name

1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID

Synonyms

Risedronate

Systematic names

ProgramVersionName
ACDLabs 10.04 (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid)
OpenEye OEToolkits 1.5.0 (1-hydroxy-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid

Formula

C7 H11 N O7 P2

Formal charge

0

Molecular weight

283.112 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1
SMILES CACTVS 3.341 OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)

IUPAC InChI key

IIDJRNMFWXDHID-UHFFFAOYSA-N
RIS

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-17

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned