Chemical Components in the PDB

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TZP : Summary

Code

TZP

One-letter code

X

Molecule name

4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate

Formula

C6 H10 N O4 P S

Formal charge

0

Molecular weight

223.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(OCCc1scnc1C)(O)O
SMILES CACTVS 3.341 Cc1ncsc1CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 Cc1c(scn1)CCOP(=O)(O)O
Canonical SMILES CACTVS 3.341 Cc1ncsc1CCO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(scn1)CCOP(=O)(O)O

IUPAC InChI

InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)

IUPAC InChI key

OCYMERZCMYJQQO-UHFFFAOYSA-N
TZP

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-11-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned