Chemical Components in the PDB

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ES1 : Summary

Code

ES1

One-letter code

X

Molecule name

quinolin-4-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 quinolin-4-ol

Formula

C9 H7 N O

Formal charge

0

Molecular weight

145.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 Oc1ccnc2ccccc12
SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)c(ccn2)O
Canonical SMILES CACTVS 3.352 Oc1ccnc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)c(ccn2)O

IUPAC InChI

InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)

IUPAC InChI key

PMZDQRJGMBOQBF-UHFFFAOYSA-N
ES1

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-12-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned