Chemical Components in the PDB

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0YC : Summary

Code

0YC

One-letter code

X

Molecule name

1-(pyridin-3-yl)methanamine

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(pyridin-3-yl)methanamine
OpenEye OEToolkits 1.7.6 pyridin-3-ylmethanamine

Formula

C6 H8 N2

Formal charge

0

Molecular weight

108.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n1cccc(c1)CN
SMILES CACTVS 3.370 NCc1cccnc1
SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)CN
Canonical SMILES CACTVS 3.370 NCc1cccnc1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cnc1)CN

IUPAC InChI

InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2

IUPAC InChI key

HDOUGSFASVGDCS-UHFFFAOYSA-N

Is part of

99P
0YC

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-12

Last modified at

2012-09-17

Status

Released

Obsoleted

Not Assigned