Structure Database (LMSD)

Common Name
C25:3 Highly branched isoprenoid B
Systematic Name
2,6,10,14-tetramethyl-9E-(3-methylpent-4-enylidene)-pentadec-6Z-ene
Synonyms
LM ID
LMPR0105010008
Formula
C25H46
Exact Mass
Calculate m/z
346.35995
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)
MRPCXANBZDEYCG-BRYXKCCLSA-N
InChi (Click to copy)
InChI=1S/C25H46/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/h9,17-18,20-22,24H,1,10-16,19H2,2-8H3/b23-17-,25-18+
SMILES (Click to copy)
CC(C)CCCC(/C(/C/C=C(/C)\CCCC(C)C)=C/CC(C=C)C)C

References

Other Databases

PubChem CID
6430522

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 433.14
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.75
Molar Refractivity 116.98

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Created at
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Updated at
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