Structure Database (LMSD)
Common Name
10-hydroxy-hexadecan-1,16-dioic acid
Systematic Name
10-hydroxy-hexadecan-1,16-dioic acid
Synonyms
LM ID
LMFA01170058
Formula
Exact Mass
Calculate m/z
302.209325
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 10-hydroxy-hexadecan-1,16-dioic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BNKCVLYEVLBHCL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O5/c17-14(11-7-5-9-13-16(20)21)10-6-3-1-2-4-8-12-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCC(O)CCCCCC(=O)O)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
324.03
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
3.87
Molar Refractivity
81.81
Admin
Created at
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Updated at
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