Structure Database (LMSD)

Common Name
Aleprestic acid
Systematic Name
5-(2-cyclopentenyl)-pentanoic acid
Synonyms
  • 2-cyclopentene-1-pentanoic acid
  • 5-(2-cyclopenten-1-yl)pentanoic acid
  • 5-(cyclopent-2-enyl)pentanoic acid
LM ID
LMFA01030188
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula
C10H16O2
Abbrev
FA 10:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
LKYXRLKMAYFZDK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c11-10(12)8-4-3-7-9-5-1-2-6-9/h1,5,9H,2-4,6-8H2,(H,11,12)
SMILES (Click to copy)
C1(C=CCC1)CCCCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0259
PubChem CID
5282852
PlantFA ID
10217

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.60
Molar Refractivity 47.97

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Updated at
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