Chemical Components in the PDB

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UQ1 : Summary

Code

UQ1

One-letter code

X

Molecule name

UBIQUINONE-1

Systematic names

ProgramVersionName
ACDLabs 10.04 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
OpenEye OEToolkits 1.5.0 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione

Formula

C14 H18 O4

Formal charge

0

Molecular weight

250.29 Da

SMILES

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

IUPAC InChI

InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

IUPAC InChI key

SOECUQMRSRVZQQ-UHFFFAOYSA-N
UQ1

wwPDB Information

Atom count

36 (18 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