Structure Database (LMSD)

Common Name
N-linoleoyl dopamine
Systematic Name
N-(9Z,12Z-octadecadienoyl) dopamine
Synonyms
LM ID
LMFA08020270
Formula
C26H41NO3
Exact Mass
Calculate m/z
415.308644
Sum Composition
NA 26:6;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Acylamido analogs of endocannabinoids selectively inhibit cancer cell proliferation.,
Bioorg Med Chem, 2008
Pubmed ID: 18951802

String Representations

InChiKey (Click to copy)
SZYHQIGUKQSEJD-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C26H41NO3/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/h6-7,9-10,18-19,22,28-29H,2-5,8,11-17,20-21H2,1H3,(H,27,30)/b7-6-,10-9-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CCCCC)CCCC(=O)NCCC1=CC(O)=C(O)C=C1

Other Databases

CHEBI ID
183583
PubChem CID
14230987

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 456.63
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.85
Molar Refractivity 126.33

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