Structure database (LMSD)

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LM IDLMPR0103010022
Common Name24:3(5Z,9Z,17Z)(15Me,19Me,23Me)
Systematic Name15,19,23-trimethyl-5Z,9Z,17Z-tetracosatrienoic acid
Synonyms-
Exact Mass
404.3654 (neutral)    Calculate m/z:
FormulaC27H48O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID52929816
InChIKeyPRGDQWKNVBYEKH-IZJJPQSLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H48O2/c1-24(2)18-16-20-26(4)22-17-21-25(3)19-14-12-10-8-6-5-7-9-11-13-15-23-27(28)29/h6,8-9,11,17,22,24-26H,5,7,10,12-16,18-21,23H2,1-4H3,(H,28,29)/b8-6-,11-9-,22-17-
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SMILES
C(CCC/C=C\CC/C=C\CCCCC(C)C/C=C\C(C)CCCC(C)C)(=O)O
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StatusActive
ReferencesLipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky,Tomas Rezanka and Morris Srebnik
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003,117-155
and references therein
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume
482.68Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP8.74Molar
Refractivity
128.24