Structure Database (LMSD)

Common Name
14:0(5Me[R],9Me[R],13Me)
Systematic Name
5R,9R,13-trimethyl-tetradecanoic acid
Synonyms
LM ID
LMPR0103010014
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

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

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

Other Databases

CHEBI ID
179972
PubChem CID
11288708

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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