Structure Database (LMSD)

Common Name
Cyclopentenone acid C
Systematic Name
14-(3-oxo-1-cyclopentenyl)-tetradecanoic acid
Synonyms
LM ID
LMFA01140103
Formula
C19H32O3
Exact Mass
Calculate m/z
308.235145
Sum Composition
FA 19:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hydnocarpus anthelminthicus (#467743)
Magnoliopsida (#3398)
Five new cyclopentenyl fatty acid derivatives from the seeds of Hydnocarpus anthelminthica.,
J Asian Nat Prod Res, 2022
Pubmed ID: 35142236

String Representations

InChiKey (Click to copy)
ZHUVNXQAENOFTH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c20-18-15-14-17(16-18)12-10-8-6-4-2-1-3-5-7-9-11-13-19(21)22/h16H,1-15H2,(H,21,22)
SMILES (Click to copy)
C(CCCCCCC(=O)O)CCCCCCC1=CC(=O)CC1

Other Databases

PubChem CID
171119992

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings
Rotatable Bonds 14
Van der Waals Molecular Volume 343.35
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.43
Molar Refractivity 89.98

Admin

Created at
5th Mar 2022
Updated at
5th Mar 2022