6-decylubiquinone

[muthuvenkat]

Hi,

I need this compound for Rhea:10936, EC 1.8.5.2.

KEGG: C15494

Output from ChEBI submission tool beta: <?xml version="1.0" encoding="UTF-8"?> <cml dictRef="ebiMolecule:ebiMoleculeDict.xml" xmlns="http://www.xml-cml.org/schema"&gt;&lt;molecule formula="C19H30O4"><atomArray><atom id="a1" x2="-1.3347" y2="-0.0153" elementType="C"/><atom id="a2" x2="-2.0491" y2="-0.4278" elementType="C"/><atom id="a3" x2="-2.0491" y2="-1.2528" elementType="C"/><atom id="a4" x2="-1.3347" y2="-1.6654" elementType="C"/><atom id="a5" x2="-0.6202" y2="-1.2528" elementType="C"/><atom id="a6" x2="-0.6202" y2="-0.4278" elementType="C"/><atom id="a7" x2="-1.3347" y2="0.8097" elementType="O"/><atom id="a8" x2="-1.3347" y2="-2.4904" elementType="O"/><atom id="a9" x2="-2.7636" y2="-0.0153" elementType="O"/><atom id="a10" x2="-2.7636" y2="-1.6653" elementType="O"/><atom id="a11" x2="0.0943" y2="-0.0153" elementType="C"/><atom id="a12" x2="0.0943" y2="-1.6653" elementType="C"/><atom id="a13" x2="-2.7636" y2="0.8097" elementType="C"/><atom id="a14" x2="-2.7636" y2="-2.4903" elementType="C"/><atom id="a15" x2="0.8088" y2="-1.2528" elementType="C"/><atom id="a16" x2="1.5232" y2="-1.6653" elementType="C"/><atom id="a17" x2="2.2377" y2="-1.2528" elementType="C"/><atom id="a18" x2="2.9522" y2="-1.6653" elementType="C"/><atom id="a19" x2="3.6666" y2="-1.2528" elementType="C"/><atom id="a20" x2="4.3811" y2="-1.6653" elementType="C"/><atom id="a21" x2="5.0956" y2="-1.2528" elementType="C"/><atom id="a22" x2="5.8101" y2="-1.6653" elementType="C"/><atom id="a23" x2="6.5245" y2="-1.2528" elementType="C"/></atomArray><bondArray><bond atomRefs2="a1 a2" id="b1" order="1"/><bond atomRefs2="a2 a3" id="b2" order="2"/><bond atomRefs2="a3 a4" id="b3" order="1"/><bond atomRefs2="a4 a5" id="b4" order="1"/><bond atomRefs2="a5 a6" id="b5" order="2"/><bond atomRefs2="a1 a6" id="b6" order="1"/><bond atomRefs2="a1 a7" id="b7" order="2"/><bond atomRefs2="a4 a8" id="b8" order="2"/><bond atomRefs2="a2 a9" id="b9" order="1"/><bond atomRefs2="a3 a10" id="b10" order="1"/><bond atomRefs2="a6 a11" id="b11" order="1"/><bond atomRefs2="a5 a12" id="b12" order="1"/><bond atomRefs2="a9 a13" id="b13" order="1"/><bond atomRefs2="a10 a14" id="b14" order="1"/><bond atomRefs2="a12 a15" id="b15" order="1"/><bond atomRefs2="a15 a16" id="b16" order="1"/><bond atomRefs2="a16 a17" id="b17" order="1"/><bond atomRefs2="a17 a18" id="b18" order="1"/><bond atomRefs2="a18 a19" id="b19" order="1"/><bond atomRefs2="a19 a20" id="b20" order="1"/><bond atomRefs2="a20 a21" id="b21" order="1"/><bond atomRefs2="a21 a22" id="b22" order="1"/><bond atomRefs2="a22 a23" id="b23" order="1"/></bondArray><name>6-decylubiquinone</name><identifier dictRef="ebiMolecule:inchi" convention="iupac:inchi" value="InChI=1/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3"/><identifier dictRef="ebiMolecule:inchiKey" convention="iupac:inchiKey" value="InChIKey=VMEGFMNVSYVVOM-UHFFFAOYAL"/><identifier dictRef="ebiMolecule:stereoSmiles" convention="smiles" value="CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O"/><identifier dictRef="ebiMolecule:keggCompound" value="C15494"/><name dictRef="ebiMolecule:synonym" language="en">Decylubiquinone</name><name dictRef="ebiMolecule:synonym" language="en">2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone</name><metadataList><metadata dictRef="ebiMolecule:isA" direction="outgoing" value="50860" name="organic molecular entities"/></metadataList></molecule></cml>

/Kristian

Reported by: axelsen

[muthuvenkat]

I now found the "real" tool and I have submitted the compound there: ChEBI:52020

/Kristian

Original comment by: axelsen

[muthuvenkat]

Done.

Original comment by: mennis

[muthuvenkat]

• status: open --> closed

Original comment by: mennis