Chemical Components in the PDB

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MOB : Summary

Code

MOB

One-letter code

X

Molecule name

2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)diazenyl]benzoic acid
OpenEye OEToolkits 1.5.0 2-(4-hydroxy-3,5-dimethoxy-phenyl)diazenylbenzoic acid

Formula

C15 H14 N2 O5

Formal charge

0

Molecular weight

302.282 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)c2ccccc2/N=N/c1cc(OC)c(O)c(OC)c1
SMILES CACTVS 3.341 COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O
SMILES OpenEye OEToolkits 1.5.0 COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O
Canonical SMILES CACTVS 3.341 COc1cc(cc(OC)c1O)N=Nc2ccccc2C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1cc(cc(c1O)OC)N=Nc2ccccc2C(=O)O

IUPAC InChI

InChI=1S/C15H14N2O5/c1-21-12-7-9(8-13(22-2)14(12)18)16-17-11-6-4-3-5-10(11)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+

IUPAC InChI key

OUUSCQGLQHBVJX-WUKNDPDISA-N
MOB

wwPDB Information

Atom count

36 (22 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