Structure Database (LMSD)
Common Name
N-arachidonoyl dihydroxypropylamine
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-(1,3-dihydroxy-propyl-2-amine)
Synonyms
- AA dihydroxypropylamine
- Arachidonoyl Serinol
LM ID
LMFA08020072
Formula
Exact Mass
Calculate m/z
377.292994
Sum Composition
Status
Active
3D model of N-arachidonoyl dihydroxypropylamine
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)
QHELXIATGZYOIB-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(NC(CO)CO)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
430.63
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.46
Molar Refractivity
116.00
Admin
Created at
-
Updated at
18th Oct 2021