Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

5H1 : Summary

Code

5H1

One-letter code

X

Molecule name

1H-indol-5-ol

Synonyms

5-hydroxyindole

Systematic names

ProgramVersionName
ACDLabs 10.04 1H-indol-5-ol
OpenEye OEToolkits 1.5.0 1H-indol-5-ol

Formula

C8 H7 N O

Formal charge

0

Molecular weight

133.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cc2c(cc1)ncc2
SMILES CACTVS 3.341 Oc1ccc2[nH]ccc2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc[nH]2)cc1O
Canonical SMILES CACTVS 3.341 Oc1ccc2[nH]ccc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc[nH]2)cc1O

IUPAC InChI

InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H

IUPAC InChI key

LMIQERWZRIFWNZ-UHFFFAOYSA-N
5H1

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-01-20

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned