Structure Database (LMSD)
Common Name
N-(7Z,10Z,13Z-16Z-docosatetraenoyl) dopamine
Systematic Name
N-(7Z,10Z,13Z-16Z-docosatetraenoyl) dopamine
Synonyms
LM ID
LMFA08020274
Formula
Exact Mass
Calculate m/z
467.339944
Sum Composition
Status
Active
3D model of N-(7Z,10Z,13Z-16Z-docosatetraenoyl) dopamine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
The expanding field of cannabimimetic and related lipid mediators. Heather B. Bradshaw and J. Michael Walker. British Journal of Pharmacology. Volume 144, 2005, pp. 459–465. https://doi.org/10.1038/sj.bjp.0706093
https://bpspubs.onlinelibrary.wiley.com/doi/abs/10.1038/sj.bjp.0706093
https://bpspubs.onlinelibrary.wiley.com/doi/abs/10.1038/sj.bjp.0706093
String Representations
InChiKey (Click to copy)
UOCRCGASDRJYPD-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C30H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h6-7,9-10,12-13,15-16,22-23,26,32-33H,2-5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
1
Aromatic Rings
1
Rotatable Bonds
19
Van der Waals Molecular Volume
520.55
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
7.97
Molar Refractivity
144.61
Admin
Created at
12th Aug 2019
Updated at
12th Aug 2019