Structure Database (LMSD)

O OH
Common Name
24:3(5Z,9Z,17Z)(15Me,19Me,23Me)
Systematic Name
15,19,23-trimethyl-5Z,9Z,17Z-tetracosatrienoic acid
Synonyms
LM ID
LMPR0103010022
Formula
C27H48O2
Exact Mass
Calculate m/z
404.36543
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)
PRGDQWKNVBYEKH-IZJJPQSLSA-N
InChi (Click to copy)
InChI=1S/C27H48O2/c1-24(2)18-16-20-26(4)22-17-21-25(3)19-14-12-10-8-6-5-7-9-11-13-15-23-27(28)29/h6,8-9,11,17,22,24-26H,5,7,10,12-16,18-21,23H2,1-4H3,(H,28,29)/b8-6-,11-9-,22-17-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCC(C)C/C=C\C(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
187367
PubChem CID
52929816

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 482.68
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.74
Molar Refractivity 128.24

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Updated at
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