Structure Database (LMSD)

OH O
Common Name
2-Cyclopentene-1S-tridecanoic acid
Systematic Name
2-Cyclopentene-1S-tridecanoic acid
Synonyms
  • 2-Cyclopentene-1-tridecanoic acid, (1S)-
  • (S)-13-(cyclopent-2-en-1-yl)tridecanoic acid
LM ID
LMFA01140055
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
XMVQWNRDPAAMJB-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m1/s1
SMILES (Click to copy)
[C@H]1(CCCCCCCCCCCCC(O)=O)CCC=C1

References

Other Databases

KEGG ID
C08282
CHEBI ID
61391
PubChem CID
441446
PlantFA ID
10220

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 319.9
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.72
Molar Refractivity 84.9

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Created at
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Updated at
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