Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

5VQ : Summary

Code

5VQ

One-letter code

X

Molecule name

2-Propen-1-ol

Synonyms

allyl alcohol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 prop-2-en-1-ol

Formula

C3 H6 O

Formal charge

0

Molecular weight

58.079 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCC=C
SMILES OpenEye OEToolkits 2.0.4 C=CCO
Canonical SMILES CACTVS 3.385 OCC=C
Canonical SMILES OpenEye OEToolkits 2.0.4 C=CCO

IUPAC InChI

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

IUPAC InChI key

XXROGKLTLUQVRX-UHFFFAOYSA-N
5VQ

wwPDB Information

Atom count

10 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-11

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned