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
C28H52O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]

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
52929823

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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Updated at
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