Chemical Components in the PDB

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YEG : Summary

Code

YEG

One-letter code

X

Molecule name

cyclopentanol

Systematic names

ProgramVersionName
ACDLabs 12.01 cyclopentanol
OpenEye OEToolkits 1.7.2 cyclopentanol

Formula

C5 H10 O

Formal charge

0

Molecular weight

86.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1CCCC1
SMILES CACTVS 3.370 OC1CCCC1
SMILES OpenEye OEToolkits 1.7.2 C1CCC(C1)O
Canonical SMILES CACTVS 3.370 OC1CCCC1
Canonical SMILES OpenEye OEToolkits 1.7.2 C1CCC(C1)O

IUPAC InChI

InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2

IUPAC InChI key

XCIXKGXIYUWCLL-UHFFFAOYSA-N
YEG

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-04

Last modified at

2011-09-16

Status

Released

Obsoleted

Not Assigned