Structure Database (LMSD)

Common Name
24:2(5Z,9Z)(11Me,15Me,19Me,23Me)
Systematic Name
11,15,19,23-tetramethyl-5Z,9Z-tetracosadienoic acid
Synonyms
LM ID
LMPR0104010031
Status
Active
Exact Mass
Calculate m/z
420.39673
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)
PCJNPOCWIRLPDQ-KQDPFKFSSA-N
InChi (Click to copy)
InChI=1S/C28H52O2/c1-24(2)16-13-18-26(4)20-15-22-27(5)21-14-19-25(3)17-11-9-7-6-8-10-12-23-28(29)30/h6,8,11,17,24-27H,7,9-10,12-16,18-23H2,1-5H3,(H,29,30)/b8-6-,17-11-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C(C)CCCC(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

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 502.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.21
Molar Refractivity 132.88

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Created at
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Updated at
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