Chemical Components in the PDB

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SYD : Summary

Code

SYD

One-letter code

X

Molecule name

[(5-phenylpyridin-2-yl)methyl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(5-phenylpyridin-2-yl)methyl]phosphonic acid
OpenEye OEToolkits 1.7.0 (5-phenylpyridin-2-yl)methylphosphonic acid

Formula

C12 H12 N O3 P

Formal charge

0

Molecular weight

249.202 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)Cc1ncc(cc1)c2ccccc2
SMILES CACTVS 3.370 O[P](O)(=O)Cc1ccc(cn1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O
Canonical SMILES CACTVS 3.370 O[P](O)(=O)Cc1ccc(cn1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O

IUPAC InChI

InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)

IUPAC InChI key

JTYLHYFDHHMHKD-UHFFFAOYSA-N
SYD

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-09-14

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned