Structure Database (LMSD)
Common Name
Linusic acid
Systematic Name
9,10,12,13,15,16-hexahydroxyoctadecanoic acid
Synonyms
LM ID
LMFA01050535
Formula
Exact Mass
Calculate m/z
380.24102
Sum Composition
Status
Active
3D model of Linusic 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)
HCPSZQRUACPWRI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O8/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17,19-24H,2-11H2,1H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCC(O)C(O)CC(O)C(O)CC(O)C(O)CC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
387.64
Topological Polar Surface Area
158.68
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
8
logP
1.88
Molar Refractivity
98.59
Admin
Created at
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Updated at
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