Chemical Components in the PDB

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ZCW : Summary

Code

ZCW

One-letter code

X

Molecule name

2-(1H-indol-3-yl)ethanol

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(1H-indol-3-yl)ethanol
OpenEye OEToolkits 1.7.6 2-(1H-indol-3-yl)ethanol

Formula

C10 H11 N O

Formal charge

0

Molecular weight

161.2 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCCc2c1ccccc1nc2
SMILES CACTVS 3.370 OCCc1c[nH]c2ccccc12
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c(c[nH]2)CCO
Canonical SMILES CACTVS 3.370 OCCc1c[nH]c2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)c(c[nH]2)CCO

IUPAC InChI

InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

IUPAC InChI key

MBBOMCVGYCRMEA-UHFFFAOYSA-N
ZCW

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-17

Last modified at

2017-12-01

Status

Released

Obsoleted

Not Assigned