Structure Database (LMSD)

Common Name
3E-Eicosenoic acid
Systematic Name
3E-Eicosenoic acid
Synonyms
  • 3-Eicosenoic acid, (E)-
  • Eicosa-3t-enoic acid
  • 3t-Eicosenoic acid
LM ID
LMFA01031103
Formula
C20H38O2
Exact Mass
Calculate m/z
310.28718
Sum Composition
FA 20:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
ZGCMECMZNBYNRC-ISLYRVAYSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h17-18H,2-16,19H2,1H3,(H,21,22)/b18-17+
SMILES (Click to copy)
C(C/C=C/CCCCCCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
14275180
PlantFA ID
10590

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

Admin

Created at
-
Updated at
25th Apr 2022