Chemical Components in the PDB

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UQ2 : Summary

Code

UQ2

One-letter code

X

Molecule name

UBIQUINONE-2

Systematic names

ProgramVersionName
ACDLabs 10.04 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.0 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

Formula

C19 H26 O4

Formal charge

0

Molecular weight

318.407 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)C
SMILES CACTVS 3.341 COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
SMILES OpenEye OEToolkits 1.5.0 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C
Canonical SMILES CACTVS 3.341 COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C
Canonical SMILES OpenEye OEToolkits 1.5.0 CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C

IUPAC InChI

InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+

IUPAC InChI key

SQQWBSBBCSFQGC-JLHYYAGUSA-N
UQ2

wwPDB Information

Atom count

49 (23 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

2011-06-04

Status

Released

Obsoleted

Not Assigned