Chemical Components in the PDB

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Y8J : Summary

Code

Y8J

One-letter code

X

Molecule name

3-butylpyridine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 3-butylpyridine

Formula

C9 H13 N

Formal charge

0

Molecular weight

135.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCc1cccnc1
SMILES OpenEye OEToolkits 2.0.7 CCCCc1cccnc1
Canonical SMILES CACTVS 3.385 CCCCc1cccnc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCc1cccnc1

IUPAC InChI

InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

IUPAC InChI key

QSNMFWFDOFQASV-UHFFFAOYSA-N
Y8J

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-10

Last modified at

2021-08-20

Status

Released

Obsoleted

Not Assigned