Structure Database (LMSD)
Common Name
Nebraskanic acid
Systematic Name
7R,18R-dihydroxy-15Z-tetracosenoic acid
Synonyms
- (7R,15Z,18R)-7,18-dihydroxytetracosa-15-monoenoic acid
LM ID
LMFA01050558
Formula
Exact Mass
Calculate m/z
398.33961
Sum Composition
Status
Active
3D model of Nebraskanic 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)
XTSZRMFZUAMBRN-FIIQTUGESA-N
InChi (Click to copy)
InChI=1S/C24H46O4/c1-2-3-4-12-17-22(25)18-13-9-7-5-6-8-10-14-19-23(26)20-15-11-16-21-24(27)28/h9,13,22-23,25-26H,2-8,10-12,14-21H2,1H3,(H,27,28)/b13-9-/t22-,23-/m1/s1
SMILES (Click to copy)
C(CCCCC[C@H](O)CCCCCCC/C=C\C[C@H](O)CCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
453.64
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
6.96
Molar Refractivity
118.59
Admin
Created at
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Updated at
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