Chemical Components in the PDB

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4VP : Summary

Code

4VP

One-letter code

X

Molecule name

4-ethenylphenol

Systematic names

ProgramVersionName
ACDLabs 12.01 4-ethenylphenol
OpenEye OEToolkits 1.7.6 4-ethenylphenol

Formula

C8 H8 O

Formal charge

0

Molecular weight

120.149 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccc(\C=C)cc1
SMILES CACTVS 3.385 Oc1ccc(C=C)cc1
SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccc(cc1)O
Canonical SMILES CACTVS 3.385 Oc1ccc(C=C)cc1
Canonical SMILES OpenEye OEToolkits 1.7.6 C=Cc1ccc(cc1)O

IUPAC InChI

InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2

IUPAC InChI key

FUGYGGDSWSUORM-UHFFFAOYSA-N
4VP

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-01-29

Last modified at

2015-05-01

Status

Released

Obsoleted

Not Assigned