Structure Database (LMSD)
Common Name
15-trans-Neuroprotectin-D1
Systematic Name
10R,17S-dihydroxy-4Z,7Z,11E,13E,15E,19Z-docosahexaenoic acid
Synonyms
LM ID
LMFA04040002
Formula
Exact Mass
Calculate m/z
360.23006
Sum Composition
Status
Active
3D model of 15-trans-Neuroprotectin-D1
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)
CRDZYJSQHCXHEG-WSMWHGLVSA-N
InChi (Click to copy)
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12+,18-13+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C/[C@@H](O)C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
405.84
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.06
Molar Refractivity
108.89
Admin
Created at
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Updated at
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