Structure Database (LMSD)

Common Name
13,14-methylene-docosanoic acid
Systematic Name
13,14-methylene-docosanoic acid
Synonyms
  • Cyclopropanedodecanoic acid, 2-octyl-
LM ID
LMFA01140046
Formula
C23H44O2
Exact Mass
Calculate m/z
352.33413
Sum Composition
FA 23:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
KTAYKDBBVGXYBG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O2/c1-2-3-4-5-11-14-17-21-20-22(21)18-15-12-9-7-6-8-10-13-16-19-23(24)25/h21-22H,2-20H2,1H3,(H,24,25)
SMILES (Click to copy)
C1(CCCCCCCCCCCC(O)=O)CC1CCCCCCCC

Other Databases

PubChem CID
57388420
PlantFA ID
10828

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 1
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 409.04
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.75
Molar Refractivity 108.01

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Created at
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Updated at
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