Chemical Components in the PDB

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T5Y : Summary

Code

T5Y

One-letter code

X

Molecule name

pyridin-2-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 pyridin-2-ol
OpenEye OEToolkits 2.0.7 pyridin-2-ol

Formula

C5 H5 N O

Formal charge

0

Molecular weight

95.099 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1nc(O)ccc1
SMILES CACTVS 3.385 Oc1ccccn1
SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)O
Canonical SMILES CACTVS 3.385 Oc1ccccn1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccnc(c1)O

IUPAC InChI

InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

IUPAC InChI key

UBQKCCHYAOITMY-UHFFFAOYSA-N
T5Y

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2020-03-20

Status

Released

Obsoleted

Not Assigned