Chemical Components in the PDB

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POL : Summary

Code

POL

One-letter code

X

Molecule name

N-PROPANOL

Synonyms

1-PROPONOL

Systematic names

ProgramVersionName
ACDLabs 10.04 propan-1-ol
OpenEye OEToolkits 1.5.0 propan-1-ol

Formula

C3 H8 O

Formal charge

0

Molecular weight

60.095 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCC
SMILES CACTVS 3.341 CCCO
SMILES OpenEye OEToolkits 1.5.0 CCCO
Canonical SMILES CACTVS 3.341 CCCO
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCO

IUPAC InChI

InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

IUPAC InChI key

BDERNNFJNOPAEC-UHFFFAOYSA-N
POL

wwPDB Information

Atom count

12 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned