Chemical Components in the PDB

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VLG : Summary

Code

VLG

One-letter code

X

Molecule name

3'-methoxy[1,1'-biphenyl]-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid
OpenEye OEToolkits 2.0.7 4-(3-methoxyphenyl)benzoic acid

Formula

C14 H12 O3

Formal charge

0

Molecular weight

228.243 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1cccc(c1)c2ccc(cc2)C(O)=O
SMILES CACTVS 3.385 COc1cccc(c1)c2ccc(cc2)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)c2ccc(cc2)C(=O)O
Canonical SMILES CACTVS 3.385 COc1cccc(c1)c2ccc(cc2)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 COc1cccc(c1)c2ccc(cc2)C(=O)O

IUPAC InChI

InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16)

IUPAC InChI key

OAMJQKDGQYAQKD-UHFFFAOYSA-N
VLG

wwPDB Information

Atom count

29 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-08-27

Last modified at

2022-03-04

Status

Released

Obsoleted

Not Assigned