Structure Database (LMSD)

O OH
Common Name
Cyclopentanetridecanoic acid
Systematic Name
13-Cyclopentyltridecanoic acid
Synonyms
LM ID
LMFA01140041
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
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]

String Representations

InChiKey (Click to copy)
GPWJVXHWELIFNF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h17H,1-16H2,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCC1CCCC1)(=O)O

References

Other Databases

CHEBI ID
173132
PubChem CID
15820840
PlantFA ID
10797

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 322.54
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.94
Molar Refractivity 85

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Created at
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Updated at
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