Structure Database (LMSD)

OH O
Common Name
2-Cyclopentene-1-pentadec-9c-enoic acid
Systematic Name
15-(2-cyclopenten-1-yl)-9Z-Pentadecenoic acid
Synonyms
  • 9-Pentadecenoic acid, 15-(2-cyclopenten-1-yl)-, (Z)-
LM ID
LMFA01140039
Formula
C20H34O2
Exact Mass
Calculate m/z
306.25588
Sum Composition
FA 20:3
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)
GFPRKNCSMMGSNS-IWQZZHSRSA-N
InChi (Click to copy)
InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1,3,13,16,19H,2,4-12,14-15,17-18H2,(H,21,22)/b3-1-
SMILES (Click to copy)
C(O)(=O)CCCCCCC/C=C\CCCCCC1CCC=C1

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

Other Databases

PubChem CID
131839792
PlantFA ID
10577

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 351.86
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.27
Molar Refractivity 94.04

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Created at
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Updated at
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