Structure Database (LMSD)

Common Name
II-dihydro-omega-(2,6,6-trimethylcyclohex-2-enylmethyl)-menaquinone-6
Systematic Name
(2E,10E,14E,18E,22E)-2-[3,7,11,15,19,23-hexamethyl-25-(2,6,6-trimethyl-cyclohex-2-enyl)pentacosa-2,10,14,18,22-pentaenyl]-3-methyl-l,4-naphthoquinone.
Synonyms
LM ID
LMPR02030036
Status
Active
Exact Mass
Calculate m/z
718.56888
Formula
C51H74O2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
LGCDFVWXLWUZCT-KFSYZHQCSA-N
InChi (Click to copy)
InChI=1S/C51H74O2/c1-37(19-13-20-38(2)22-15-24-40(4)26-17-28-42(6)33-35-48-43(7)29-18-36-51(48,9)10)21-14-23-39(3)25-16-27-41(5)32-34-45-44(8)49(52)46-30-11-12-31-47(46)50(45)53/h11-12,20-21,24,28-32,39,48H,13-19,22-23,25-27,33-36H2,1-10H3/b37-21+,38-20+,40-24+,41-32+,42-28+
SMILES (Click to copy)
C1(=O)C(=C(C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC2C(C)=CCCC2(C)C)\C)\C)\C)C(=O)C2C=CC=CC1=2)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nocardia brasiliensis (#37326)
Actinomycetia (#1760)
Isolation and structural determination of new members of the vitamin K 2 series in Nocardia brasiliensis,
FEMS Micro Letts, 1987

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 3
Aromatic Rings 1
Rotatable Bonds 21
Van der Waals Molecular Volume 828.78
Topological Polar Surface Area 34.14
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 15.59
Molar Refractivity 230.65

Admin

Created at
11th Apr 2022
Updated at
11th Apr 2022