Structure Database (LMSD)

Common Name
5Z,13E-Docosadienoic acid
Systematic Name
5Z,13E-Docosadienoic acid
Synonyms
  • Z,E-5,13-Docosadienoic acid
  • Docosa-5c,13t-dienoic acid
LM ID
LMFA04000088
Formula
C22H40O2
Exact Mass
Calculate m/z
336.30283
Sum Composition
FA 22:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
HVHVBKMJDJLCEQ-IFHDMOFGSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10,17-18H,2-8,11-16,19-21H2,1H3,(H,23,24)/b10-9+,18-17-
SMILES (Click to copy)
C(CCC/C=C\CCCCCC/C=C/CCCCCCCC)(=O)O

Other Databases

PubChem CID
131840334
PlantFA ID
10457

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 398.82
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.44
Molar Refractivity 105.46

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Created at
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Updated at
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