Structure Database (LMSD)

Common Name
Pipericine
Systematic Name
(2E,4E)-N-(2-methylpropyl)octadeca-2,4-dienamide
Synonyms
LM ID
LMFA08020200
Formula
C22H41NO
Exact Mass
Calculate m/z
335.318814
Sum Composition
NA 22:2
Status
Active
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]

String Representations

InChiKey (Click to copy)
QQCGKIZHTJLRNN-NBRVCOCJSA-N
InChi (Click to copy)
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16+,19-18+
SMILES (Click to copy)
CCCCCCCCCCCCC/C=C/C=C/C(NCC(C)C)=O

Other Databases

HMDB ID
HMDB31678
CHEBI ID
165576
PubChem CID
9974234

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 401.03
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.86
Molar Refractivity 107.70

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Created at
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Updated at
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