Structure Database (LMSD)
Common Name
3-hydroxy-dodecanedioic acid
Systematic Name
3-hydroxy-dodecanedioic acid
Synonyms
LM ID
LMFA01170089
Formula
Exact Mass
Calculate m/z
246.146725
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-hydroxy-dodecanedioic 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)
FYVQCLGZFXHEGL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)
SMILES (Click to copy)
C(=O)(O)CC(O)CCCCCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
254.83
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
2.31
Molar Refractivity
63.34
Admin
Created at
-
Updated at
-