Structure Database (LMSD)

O OH
Common Name
Hydnocarpic acid
Systematic Name
11-(2-cyclopentenyl)-undecanoic acid
Synonyms
  • 2-cyclopentene-1-undecanoic acid
  • 11-(2-cyclopenten-1-yl)undecanoic acid
  • 11-(cyclopent-2-enyl)hendecanoic acid
LM ID
LMFA01140023
Formula
C16H28O2
Exact Mass
Calculate m/z
252.20893
Sum Composition
FA 16:2
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)
SRELFLQJDOTNLJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8,10-11,13-14H2,(H,17,18)
SMILES (Click to copy)
C(CC1C=CCC1)CCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydnocarpus (#85204)
Magnoliopsida (#3398)
The component fatty acids of chaulmoogra oil.,
J Sci Food Agric, 1973
Pubmed ID: 4737104

Other Databases

CHEBI ID
61671
PubChem CID
110680
PlantFA ID
10219

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 285.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.94
Molar Refractivity 75.67

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Updated at
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