Structure Database (LMSD)

Common Name
22:2(5Z,9Z)(13Me,17Me,21Me)
Systematic Name
13,17,21-trimethyl-5Z,9Z-docosadienoic acid
Synonyms
LM ID
LMPR0103010019
Status
Active
Exact Mass
Calculate m/z
378.34978
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
MYHOCVGEJIZGQA-XOHWUJONSA-N
InChi (Click to copy)
InChI=1S/C25H46O2/c1-22(2)16-14-18-24(4)20-15-19-23(3)17-12-10-8-6-5-7-9-11-13-21-25(26)27/h7-10,22-24H,5-6,11-21H2,1-4H3,(H,26,27)/b9-7-,10-8-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCC(C)CCCC(C)CCCC(C)C)(=O)O

References

Reference
Lipid 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

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

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 450.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.18
Molar Refractivity 119.10

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Updated at
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