Chemical Components in the PDB

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LOM : Summary

Code

LOM

One-letter code

X

Molecule name

THIAZOLE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,3-thiazole
OpenEye OEToolkits 1.5.0 1,3-thiazole

Formula

C3 H3 N S

Formal charge

0

Molecular weight

85.128 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccsc1
SMILES CACTVS 3.341 s1ccnc1
SMILES OpenEye OEToolkits 1.5.0 c1cscn1
Canonical SMILES CACTVS 3.341 s1ccnc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cscn1

IUPAC InChI

InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

IUPAC InChI key

FZWLAAWBMGSTSO-UHFFFAOYSA-N
LOM

wwPDB Information

Atom count

8 (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

2011-06-04

Status

Released

Obsoleted

Not Assigned