Structure Database (LMSD)

Common Name
Dihomopinolenic acid
Systematic Name
7Z,11Z,14Z-docosatrienoic acid
Synonyms
  • 7c11c14c-20:3
  • (7Z,11Z,14Z)-docosa-7,11,14-trienoic acid
LM ID
LMFA04000083
Formula
C22H38O2
Exact Mass
Calculate m/z
334.28718
Sum Composition
FA 22:3
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)
XOGAQHZAOQVKGE-UCVSHGSNSA-N
InChi (Click to copy)
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h8-9,11-12,15-16H,2-7,10,13-14,17-21H2,1H3,(H,23,24)/b9-8-,12-11-,16-15-
SMILES (Click to copy)
C(CCCCC/C=C\CC/C=C\C/C=C\CCCCCCC)(=O)O

Other Databases

PubChem CID
131840330

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 396.18
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.22
Molar Refractivity 105.37

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Created at
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Updated at
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