Structure Database (LMSD)
Common Name
12-hydroxy-10-octadecynoic acid
Systematic Name
12-hydroxy-10-octadecynoic acid
Synonyms
- 10-Octadecynoic acid, 12-hydroxy-
No other lipid differing only in stereochemistry/bond geometry found
3D model of 12-hydroxy-10-octadecynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
JPDJPWVEHMJDNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-11,13-14,16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCCC#CC(O)CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
338.41
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.81
Molar Refractivity
87.63
Admin
Created at
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Updated at
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