Structure Database (LMSD)

Common Name
20:3(5Z,9Z,17Z)(11Me,15Me,19Me)
Systematic Name
11,15,19-trimethyl-5Z,9Z,17Z-eicosatrienoic acid
Synonyms
LM ID
LMPR0103010020
Formula
C23H40O2
Exact Mass
Calculate m/z
348.30283
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
CNLCUGBJDBKIAL-CFKNZRRFSA-N
InChi (Click to copy)
InChI=1S/C23H40O2/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/h5,7,10,12,14-15,20-22H,6,8-9,11,13,16-19H2,1-4H3,(H,24,25)/b7-5-,14-12-,15-10-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C(C)CCCC(C)C/C=C\C(C)C)(=O)O

Other Databases

CHEBI ID
137753
PubChem CID
52929814

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 413.48
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.18
Molar Refractivity 109.77

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Updated at
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