Chemical Components in the PDB

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ZOL : Summary

Code

ZOL

One-letter code

X

Molecule name

ZOLEDRONIC ACID

Synonyms

(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid)
OpenEye OEToolkits 1.5.0 (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl)phosphonic acid

Formula

C5 H10 N2 O7 P2

Formal charge

0

Molecular weight

272.09 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
SMILES CACTVS 3.341 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.341 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)

IUPAC InChI key

XRASPMIURGNCCH-UHFFFAOYSA-N
ZOL

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-06-06

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned