Structure Database (LMSD)

OH O
Common Name
Aleprolic acid
Systematic Name
(2-cyclopenten-1-yl)-carboxylic acid
Synonyms
  • cyclopent-2-enyl -1-oic acid
  • 2-cyclopentenyl-1-oic acid
LM ID
LMFA01140022
Formula
C6H8O2
Exact Mass
Calculate m/z
112.05243
Sum Composition
FA 6:2
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)
MOMBAXHNIPLMSI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)
SMILES (Click to copy)
C1(C=CCC1)C(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydnocarpus (#85204)
Magnoliopsida (#3398)
Alepric, Aleprylic, Aleprestic and Aleprolic Acids, New Homologs of Chaulmoogric Acid,
J Am Chem Soc, 1939

Other Databases

CHEBI ID
165373
PubChem CID
549171
PlantFA ID
10215

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 112.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.04
Molar Refractivity 29.50

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Created at
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Updated at
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