Structure Database (LMSD)

Common Name
(E,E)-2,4-Decadienoic isobutylamide
Systematic Name
(2E,4Z)-N-(2-methylpropyl)deca-2,4-dienamide
Synonyms
LM ID
LMFA08020162
Formula
C14H25NO
Exact Mass
Calculate m/z
223.193614
Sum Composition
NA 14:2
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)
MAGQQZHFHJDIRE-QNRZBPGKSA-N
InChi (Click to copy)
InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8-,11-10+
SMILES (Click to copy)
CCCCC/C=C\C=C\C(NCC(C)C)=O

Other Databases

HMDB ID
HMDB0030951
CHEBI ID
177860
PubChem CID
11368078

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 262.63
Topological Polar Surface Area 29.10
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 70.76

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Created at
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Updated at
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