Chemical Components in the PDB

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WDL : Summary

Code

WDL

One-letter code

X

Molecule name

1,3,5-triazine-2,4,6-triol

Synonyms

Cyanuric Acid

Systematic names

ProgramVersionName
ACDLabs 12.01 1,3,5-triazine-2,4,6-triol
OpenEye OEToolkits 1.9.2 1,3,5-triazine-2,4,6-triol

Formula

C3 H3 N3 O3

Formal charge

0

Molecular weight

129.074 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1nc(O)nc(O)n1
SMILES CACTVS 3.385 Oc1nc(O)nc(O)n1
SMILES OpenEye OEToolkits 1.9.2 c1(nc(nc(n1)O)O)O
Canonical SMILES CACTVS 3.385 Oc1nc(O)nc(O)n1
Canonical SMILES OpenEye OEToolkits 1.9.2 c1(nc(nc(n1)O)O)O

IUPAC InChI

InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

IUPAC InChI key

ZFSLODLOARCGLH-UHFFFAOYSA-N
WDL

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-19

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned