Structure Database (LMSD)

Common Name
26:1(5Z)(13Me,17Me,21Me,25Me)
Systematic Name
13,17,21,25-tetramethyl-5Z-hexacosenoic acid
Synonyms
LM ID
LMPR0104010030
Status
Active
Exact Mass
Calculate m/z
450.44368
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)
STMHMBGWESPKKM-NTMALXAHSA-N
InChi (Click to copy)
InChI=1S/C30H58O2/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/h8,10,26-29H,6-7,9,11-25H2,1-5H3,(H,31,32)/b10-8-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lubomirskia baikalensis (#289074)
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 23
Van der Waals Molecular Volume 539.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.21
Molar Refractivity 142.21

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Created at
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Updated at
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