LIPID MAPS

Structure Database (LMSD)

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Common Name

Coenzyme Q4

Systematic Name

Synonyms

LM ID

LMPR02010003

Formula

C₂₉H₄₂O₄

Exact Mass

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454.30831

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

XGCJRRDNIMSYNC-INVBOZNNSA-N

InChi (Click to copy)

InChI=1S/C29H42O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+

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)/C)C(=O)C=1OC

References

Other Databases

HMDB ID

HMDB0006710

CHEBI ID

149479

LIPIDBANK ID

VCQ0003

PubChem CID

5283545

Calculated Physicochemical Properties

Heavy Atoms 33

Rings 1

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 511.94

Topological Polar Surface Area 52.60

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 4

logP 7.49

Molar Refractivity 136.78

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