Structure Database (LMSD)

Common Name
Hormelic acid
Systematic Name
15-(cyclopent-2-en-1-yl)pentadecanoic acid
Synonyms
LM ID
LMFA01140034
Formula
C20H36O2
Exact Mass
Calculate m/z
308.27153
Sum Composition
FA 20:2
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caloncoba echinata (#312426)
Magnoliopsida (#3398)
New cyclopentenyl fatty acids in Flacourtiaceae. Straight-chain fatty acids and cyclic fatty acids in lipids during maturation of the seeds.,
Biochemistry, 1974
Pubmed ID: 4364774

String Representations

InChiKey (Click to copy)
LKHZDPAUGRFBHR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,1-12,14-15,17-18H2,(H,21,22)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCCCCCC1CCC=C1

Other Databases

PubChem CID
329669
PlantFA ID
10221

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 354.5
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.5
Molar Refractivity 94.14

Admin

Created at
-
Updated at
13th Apr 2021