Structure Database (LMSD)

Common Name
14:0(5Me[R],9Me[R],13Me)
Systematic Name
5R,9R,13-trimethyl-tetradecanoic acid
Synonyms
LM ID
LMPR0103010014
Status
Active
Exact Mass
Calculate m/z
270.25588
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)
AMCIEXNSDXERAY-HZPDHXFCSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h14-16H,5-13H2,1-4H3,(H,18,19)/t15-,16-/m1/s1
SMILES (Click to copy)
C(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)(=O)O

References

Reference
Lipid compounds of freshwater sponges:
family Spongillidae, class Demospongiae
Valery M. Dembitsky,Tomas Rezanka and Morris Srebnik
Chemistry and Physics of Lipids
Volume 123, Issue 2, April 2003,117-155
and references therein

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
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 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.51
Molar Refractivity 82.35

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Updated at
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