Structure Database (LMSD)

Common Name
Hormelic acid
Systematic Name
15-(cyclopent-2-en-1-yl)pentadecanoic acid
Synonyms
LM ID
LMFA01140034
Status
Active
Exact Mass
Calculate m/z
308.27153
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Reference
New cyclopentenyl fatty acids in Flacourtiaceae. Straight-chain fatty acids and cyclic fatty acids in lipids during maturation of the seeds.
Biochemistry, 1974
DOI: 10.1021/bi00708a001
PMID: 4364774

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

Other Databases

PubChem CID
PlantFA ID

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

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Created at
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Updated at
13th Apr 2021