Structure Database (LMSD)

Common Name
Hydroxy-epsilon-sanshool
Systematic Name
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Synonyms
LM ID
LMFA08020181
Formula
C16H25NO2
Exact Mass
Calculate m/z
263.188529
Sum Composition
NA 16:4;O
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Zanthoxylum bungeanum (#328401)
Magnoliopsida (#3398)
Aroma constituents and alkylamides of red and green huajiao (Zanthoxylum bungeanum and Zanthoxylum schinifolium).,
J Agric Food Chem, 2008
Pubmed ID: 18271544

String Representations

InChiKey (Click to copy)
LHFKHAVGGJJQFF-JRNWQWJGSA-N
InChi (Click to copy)
InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+
SMILES (Click to copy)
C(/C=C/CC/C=C\C=C\C=C/C)(=O)NCC(C)(C)O

Other Databases

PubChem CID
46870578

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 300.74
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.47
Molar Refractivity 81.78

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Created at
-
Updated at
11th Mar 2022