Structure Database (LMSD)

Common Name
26:2(5Z,9Z)(13Me,17Me,21Me,25Me)
Systematic Name
13,17,21,25-tetramethyl-5Z,9Z-hexacosadienoic acid
Synonyms
LM ID
LMPR0104010032
Status
Active
Exact Mass
Calculate m/z
448.42803
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)
XXKPOMLIOKNRQN-WGEIWTTOSA-N
InChi (Click to copy)
InChI=1S/C30H56O2/c1-26(2)18-15-20-28(4)22-17-24-29(5)23-16-21-27(3)19-13-11-9-7-6-8-10-12-14-25-30(31)32/h8-11,26-29H,6-7,12-25H2,1-5H3,(H,31,32)/b10-8-,11-9-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCC(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 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 537.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.99
Molar Refractivity 142.12

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Updated at
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