Chemical Components in the PDB

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JZ0 : Summary

Code

JZ0

One-letter code

X

Molecule name

o-cresol

Synonyms

ortho-cresol,2-methylphenol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 2-methylphenol

Formula

C7 H8 O

Formal charge

0

Molecular weight

108.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Cc1ccccc1O
SMILES OpenEye OEToolkits 1.7.0 Cc1ccccc1O
Canonical SMILES CACTVS 3.352 Cc1ccccc1O
Canonical SMILES OpenEye OEToolkits 1.7.0 Cc1ccccc1O

IUPAC InChI

InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

IUPAC InChI key

QWVGKYWNOKOFNN-UHFFFAOYSA-N
JZ0

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-06-15

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned