Chemical Components in the PDB

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3MB : Summary

Code

3MB

One-letter code

X

Molecule name

3-METHOXYBENZAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-methoxybenzamide
OpenEye OEToolkits 1.5.0 3-methoxybenzamide

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c1cc(OC)ccc1)N
SMILES CACTVS 3.341 COc1cccc(c1)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1)C(=O)N
Canonical SMILES CACTVS 3.341 COc1cccc(c1)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 COc1cccc(c1)C(=O)N

IUPAC InChI

InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

IUPAC InChI key

VKPLPDIMEREJJF-UHFFFAOYSA-N
3MB

wwPDB Information

Atom count

20 (11 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