Structure Database (LMSD)
Common Name
2,15,16-trihydroxy palmitic acid
Systematic Name
2,15,16-trihydroxy-hexadecanoic acid
Synonyms
- Ustilic acid
LM ID
LMFA01050099
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 2,15,16-trihydroxy palmitic 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)
IJBFCIWULVHRPT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c17-14(16(20)21)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h14-15,17-19H,1-13H2,(H,20,21)
SMILES (Click to copy)
C(CCCCCC(O)O)CCCCCCCC(O)C(=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
3.39
Molar Refractivity
82.91
Admin
Created at
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Updated at
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