Chemical Components in the PDB

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NBU : Summary

Code

NBU

One-letter code

X

Molecule name

N-BUTANE

Systematic names

ProgramVersionName
ACDLabs 10.04 butane
OpenEye OEToolkits 1.5.0 butane

Formula

C4 H10

Formal charge

0

Molecular weight

58.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 CCCC
SMILES CACTVS 3.341 CCCC
SMILES OpenEye OEToolkits 1.5.0 CCCC
Canonical SMILES CACTVS 3.341 CCCC
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCC

IUPAC InChI

InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3

IUPAC InChI key

IJDNQMDRQITEOD-UHFFFAOYSA-N
NBU

wwPDB Information

Atom count

14 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-10-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned