LIPID MAPS

Structure Database (LMSD)

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Common Name

Omega-hydroxymenaquinone-4

Systematic Name

2-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-3-methyl-1,4-naphthoquinone

Synonyms

LM ID

LMPR02030044

Formula

C₃₁H₄₀O₃

Exact Mass

Calculate m/z

460.297745

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

RPXZMNAKSDAWRS-PUTDXGHDSA-N

InChi (Click to copy)

InChI=1S/C31H40O3/c1-22(11-8-12-23(2)14-10-16-25(4)21-32)13-9-15-24(3)19-20-27-26(5)30(33)28-17-6-7-18-29(28)31(27)34/h6-7,12-13,16-19,32H,8-11,14-15,20-21H2,1-5H3/b22-13+,23-12+,24-19+,25-16+

SMILES (Click to copy)

C1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(\C)/CO)\C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Cytochrome P450-dependent catabolism of vitamin K: ω-hydroxylation catalyzed by human CYP4F2 and CYP4F11.,
Biochemistry, 2013

Pubmed ID: 24138531

Other Databases

CHEBI ID

78278

PubChem CID

16725935

SwissLipids ID

SLM:000390032

Calculated Physicochemical Properties

Heavy Atoms 34

Rings 2

Aromatic Rings 1

Rotatable Bonds 12

Van der Waals Molecular Volume 509.21

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 8.18

Molar Refractivity 142.73

Admin

Created at

18th Apr 2023

Updated at