Structure Database (LMSD)

Common Name
17Z-Docosenoic acid
Systematic Name
17Z-Docosenoic acid
Synonyms
  • 22:1-delta-17c
  • (Z)-docos-17-enoic acid
  • Z-17-Docosenoic acid
  • 17c-Docosenoic acid
  • 17c-Docosensaeure
LM ID
LMFA04000085
Formula
C22H42O2
Exact Mass
Calculate m/z
338.31848
Sum Composition
FA 22:1
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)
UBKDYQFHAWUXEQ-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h5-6H,2-4,7-21H2,1H3,(H,23,24)/b6-5-
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC/C=C\CCCC)(=O)O

Other Databases

PubChem CID
101109963
PlantFA ID
10367

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.67
Molar Refractivity 105.56

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Created at
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Updated at
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