Structure Database (LMSD)

Common Name
Omega-carboxymenaquinone-4
Systematic Name
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-16-(3-methyl-1,4-dioxonaphthalen-2-yl)hexadeca-2,6,10,14-tetraenoic acid
Synonyms
LM ID
LMPR02030045
Formula
C31H38O4
Exact Mass
Calculate m/z
474.27701
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin K [PR0203]

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

String Representations

InChiKey (Click to copy)
UYLKJIDCJOUGLL-ZGAULBRSSA-N
InChi (Click to copy)
InChI=1S/C31H38O4/c1-21(11-8-12-22(2)15-10-16-24(4)31(34)35)13-9-14-23(3)19-20-26-25(5)29(32)27-17-6-7-18-28(27)30(26)33/h6-7,12-13,16-19H,8-11,14-15,20H2,1-5H3,(H,34,35)/b21-13+,22-12+,23-19+,24-16+
SMILES (Click to copy)
C1(C/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(\C)/C(=O)O)\C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

Other Databases

PubChem CID
134820439

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 2
Aromatic Rings 1
Rotatable Bonds 12
Van der Waals Molecular Volume 515.36
Topological Polar Surface Area 71.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 7.98
Molar Refractivity 142.79

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Created at
18th Apr 2023
Updated at
27th Apr 2023