Chemical Components in the PDB

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1Q8 : Summary

Code

1Q8

One-letter code

X

Molecule name

N-(hydroxymethyl)benzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(hydroxymethyl)benzamide
OpenEye OEToolkits 1.7.6 N-(hydroxymethyl)benzamide

Formula

C8 H9 N O2

Formal charge

0

Molecular weight

151.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCO)c1ccccc1
SMILES CACTVS 3.370 OCNC(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(=O)NCO
Canonical SMILES CACTVS 3.370 OCNC(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(=O)NCO

IUPAC InChI

InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)

IUPAC InChI key

UOUBPDZUBVJZOQ-UHFFFAOYSA-N
1Q8

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

2013-04-25

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned