Structure Database (LMSD)

OH O
Common Name
Alepric acid
Systematic Name
9-(2-cyclopentenyl)-nonanoic acid
Synonyms
  • 2-cyclopentene-1-nonanoic acid
  • 9-(2-cyclopenten-1-yl)nonanoic acid
  • 9-(cyclopent-2-enyl)nonanoic acid
LM ID
LMFA01030191
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
FA 14:2
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]
Unsaturated fatty acids [FA0103]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
DTHSUAKYTFUSQU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c15-14(16)12-6-4-2-1-3-5-9-13-10-7-8-11-13/h7,10,13H,1-6,8-9,11-12H2,(H,15,16)
SMILES (Click to copy)
C1(C=CCC1)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydnocarpus (#85204)
Magnoliopsida (#3398)
ALEPRIC AND ALEPRYLIC ACIDS, NEW HOMOLOGS OF CHAULMOOGRIC ACID.,
Science, 1939
Pubmed ID: 17745494

Other Databases

CHEBI ID
186215
LIPIDBANK ID
DFA0262
PubChem CID
5282854
PlantFA ID
10218

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 250.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.16
Molar Refractivity 66.44

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Created at
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Updated at
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