Chemical Components in the PDB

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DIU : Summary

Code

DIU

One-letter code

X

Molecule name

2-HYDROXY-3,5-DIIODO-BENZOIC ACID

Synonyms

2-HYDROXY-3,5-DIIODOBENZOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-hydroxy-3,5-diiodobenzoic acid
OpenEye OEToolkits 1.5.0 2-hydroxy-3,5-diiodo-benzoic acid

Formula

C7 H4 I2 O3

Formal charge

0

Molecular weight

389.914 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Ic1cc(C(=O)O)c(O)c(I)c1
SMILES CACTVS 3.341 OC(=O)c1cc(I)cc(I)c1O
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1C(=O)O)O)I)I
Canonical SMILES CACTVS 3.341 OC(=O)c1cc(I)cc(I)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(c(c1C(=O)O)O)I)I

IUPAC InChI

InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

IUPAC InChI key

DHZVWQPHNWDCFS-UHFFFAOYSA-N
DIU

wwPDB Information

Atom count

16 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-07-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned