Chemical Components in the PDB

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XL3 : Summary

Code

XL3

One-letter code

X

Molecule name

propane-1-thiol

Systematic names

ProgramVersionName
ACDLabs 10.04 propane-1-thiol
OpenEye OEToolkits 1.5.0 propane-1-thiol

Formula

C3 H8 S

Formal charge

0

Molecular weight

76.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 SCCC
SMILES CACTVS 3.341 CCCS
SMILES OpenEye OEToolkits 1.5.0 CCCS
Canonical SMILES CACTVS 3.341 CCCS
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCS

IUPAC InChI

InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

IUPAC InChI key

SUVIGLJNEAMWEG-UHFFFAOYSA-N
XL3

wwPDB Information

Atom count

12 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned