Chemical Components in the PDB

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6V9 : Summary

Code

6V9

One-letter code

X

Molecule name

2-methyl-1,3-thiazole-5-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 2-methyl-1,3-thiazole-5-carboxylic acid

Formula

C5 H5 N O2 S

Formal charge

0

Molecular weight

143.164 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1sc(cn1)C(O)=O
SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(s1)C(=O)O
Canonical SMILES CACTVS 3.385 Cc1sc(cn1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1ncc(s1)C(=O)O

IUPAC InChI

InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)

IUPAC InChI key

QCXCIYPOMMIBHO-UHFFFAOYSA-N
6V9

wwPDB Information

Atom count

14 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-07-04

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned