Structure Database (LMSD)

Common Name
C25:4 Highly branched isoprenoid A
Systematic Name
2,6,10,14-tetramethyl-7-(3-methylene-pent-4-enyl)-pentadeca-5E,9E-diene
Synonyms
LM ID
LMPR0105010004
Formula
C25H44
Exact Mass
Calculate m/z
344.3443
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C25 isoprenoids (sesterterpenes) [PR0105]
Acyclic sesterterpenoids [PR010501]

String Representations

InChiKey (Click to copy)
QWAOQWFXPUZRSC-BXPHKCKFSA-N
InChi (Click to copy)
InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,15,17,20-21,25H,1,6,10-14,16,18-19H2,2-5,7-8H3/b23-17+,24-15+
SMILES (Click to copy)
CC(CC/C=C(\C)/C(CCC(=C)C=C)C/C=C(/CCCC(C)C)\C)C

References

Other Databases

PubChem CID
6430598

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 430.50
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.67
Molar Refractivity 116.95

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Created at
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Updated at
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