Structure Database (LMSD)

OH OH O HN
Common Name
N-gamma-linolenoyl dopamine
Systematic Name
N-(6Z,9Z,12Z-octadecatrienoyl) dopamine
Synonyms
  • GLA dopamine
LM ID
LMFA08020273
Formula
Exact Mass
Calculate m/z
413.292994
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
BONADYPROORJTR-QNEBEIHSSA-N
InChi (Click to copy)
InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h6-7,9-10,12-13,18-19,22,28-29H,2-5,8,11,14-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-,13-12-
SMILES (Click to copy)
C(/C=C\C/C=C\C/C=C\CCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1

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

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 453.99
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.63
Molar Refractivity 126.24

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Created at
12th Aug 2019
Updated at
12th Aug 2019