LIPID MAPS

Structure Database (LMSD)

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Common Name

Coenzyme Q6

Systematic Name

Synonyms

LM ID

LMPR02010002

Formula

C₃₉H₅₈O₄

Exact Mass

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590.43351

Status

Active

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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

C17568

HMDB ID

HMDB06709

CHEBI ID

52971

LIPIDBANK ID

VCQ0002

PubChem CID

5283544

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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