Chemical Components in the PDB

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010 : Summary

Code

010

One-letter code

X

Molecule name

phenylmethanol

Systematic names

ProgramVersionName
ACDLabs 12.01 phenylmethanol
OpenEye OEToolkits 1.7.0 phenylmethanol

Formula

C7 H8 O

Formal charge

0

Molecular weight

108.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCc1ccccc1
SMILES CACTVS 3.370 OCc1ccccc1
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)CO
Canonical SMILES CACTVS 3.370 OCc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)CO

IUPAC InChI

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

IUPAC InChI key

WVDDGKGOMKODPV-UHFFFAOYSA-N
010

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

2010-11-15

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned