Structure Database (LMSD)

O OH
Common Name
20:2(5Z,9Z)(11Me,15Me,19Me)
Systematic Name
11,15,19-trimethyl-5Z,9Z-eicosadienoic acid
Synonyms
LM ID
LMPR0103010018
Formula
C23H42O2
Exact Mass
Calculate m/z
350.31848
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

String Representations

InChiKey (Click to copy)
GAAXOKKROCNDSI-UBAIFNMZSA-N
InChi (Click to copy)
InChI=1S/C23H42O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,10,15,20-22H,6,8-9,11-14,16-19H2,1-4H3,(H,24,25)/b7-5-,15-10-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C(C)CCCC(C)CCCC(C)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Baikalospongia intermedia (#302453)
Demospongiae (#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

CHEBI ID
188020
PubChem CID
52929812

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 416.12
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.40
Molar Refractivity 109.87

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Updated at
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