Chemical Components in the PDB

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LYT : Summary

Code

LYT

One-letter code

X

Molecule name

BUTYLAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 butan-1-amine
OpenEye OEToolkits 1.5.0 butan-1-amine

Formula

C4 H11 N

Formal charge

0

Molecular weight

73.137 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 NCCCC
SMILES CACTVS 3.341 CCCCN
SMILES OpenEye OEToolkits 1.5.0 CCCCN
Canonical SMILES CACTVS 3.341 CCCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCN

IUPAC InChI

InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3

IUPAC InChI key

HQABUPZFAYXKJW-UHFFFAOYSA-N

Is part of

XLI
LYT

wwPDB Information

Atom count

16 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned