Structure Database (LMSD)

Common Name
Coenzyme Q6
Systematic Name
Synonyms
LM ID
LMPR02010002
Status
Active
Exact Mass
Calculate m/z
590.43351
Formula




Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
GXNFPEOUKFOTKY-LPHQIWJTSA-N
InChi (Click to copy)
InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
SMILES (Click to copy)
C1(OC)C(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C=1OC

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
VCQ0002
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 1
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 679.66
Topological Polar Surface Area 52.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 10.95
Molar Refractivity 182.76

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Created at
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Updated at
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