Chemical Components in the PDB

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OVM : Summary

Code

OVM

One-letter code

X

Molecule name

3-methoxybenzoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3-methoxybenzoic acid
OpenEye OEToolkits 2.0.7 3-methoxybenzoic acid

Formula

C8 H8 O3

Formal charge

0

Molecular weight

152.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(O)(c1cccc(c1)OC)=O
SMILES CACTVS 3.385 COc1cccc(c1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)C(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc(c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)C(=O)O

IUPAC InChI

InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

IUPAC InChI key

XHQZJYCNDZAGLW-UHFFFAOYSA-N
OVM

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-09

Last modified at

2019-11-22

Status

Released

Obsoleted

Not Assigned