Chemical Components in the PDB

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210 : Summary

Code

210

One-letter code

X

Molecule name

PAMIDRONATE

Synonyms

(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid)
OpenEye OEToolkits 1.5.0 (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid

Formula

C3 H11 N O7 P2

Formal charge

0

Molecular weight

235.069 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(O)(CCN)P(=O)(O)O
SMILES CACTVS 3.341 NCCC(O)([P](O)(O)=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CN)C(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.341 NCCC(O)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CN)C(O)(P(=O)(O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)

IUPAC InChI key

WRUUGTRCQOWXEG-UHFFFAOYSA-N
210

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-01-11

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned