Chemical Components in the PDB

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FU1 : Summary

Code

FU1

One-letter code

X

Molecule name

tetrahydrofuran

Systematic names

ProgramVersionName
ACDLabs 12.01 tetrahydrofuran
OpenEye OEToolkits 1.7.0 oxolane

Formula

C4 H8 O

Formal charge

0

Molecular weight

72.106 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O1CCCC1
SMILES CACTVS 3.370 C1CCOC1
SMILES OpenEye OEToolkits 1.7.0 C1CCOC1
Canonical SMILES CACTVS 3.370 C1CCOC1
Canonical SMILES OpenEye OEToolkits 1.7.0 C1CCOC1

IUPAC InChI

InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2

IUPAC InChI key

WYURNTSHIVDZCO-UHFFFAOYSA-N
FU1

wwPDB Information

Atom count

13 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-21

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned