Structure Database (LMSD)
Common Name
5-methyl-tetradecanedioic acid
Systematic Name
5-methyl-tetradecanedioic acid
Synonyms
LM ID
LMFA01170020
Formula
Exact Mass
Calculate m/z
272.19876
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-methyl-tetradecanedioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
TVZISBAEBOPHEZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O4/c1-13(10-8-12-15(18)19)9-6-4-2-3-5-7-11-14(16)17/h13H,2-12H2,1H3,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(CCCC(C)CCCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
297.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.08
Molar Refractivity
75.22
Admin
Created at
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Updated at
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