Structure Database (LMSD)
Common Name
Aleuritic acid
Systematic Name
9,10,16-trihydroxy-hexadecanoic acid
Synonyms
- 9,10,16-trihydroxy palmitic acid
LM ID
LMFA01050101
Formula
Exact Mass
Calculate m/z
304.224975
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Aleuritic 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)
MEHUJCGAYMDLEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)
SMILES (Click to copy)
C(O)(CCCCCCO)C(O)CCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
326.67
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.32
Molar Refractivity
83.65
Admin
Created at
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Updated at
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