Structure Database (LMSD)

Common Name
Oncobic acid
Systematic Name
15-(2-cyclopenten-1-yl)-8Z-pentadecenoic acid
Synonyms
  • 8-Pentadecenoic acid, 15-(2-cyclopenten-1-yl)-, (8Z)-
  • 8,9-Didehydro-2-cyclopentene-1-pentadecanoic acid
  • 15-(2-Cyclopenten-1-yl)-8-pentadecenoic acid
  • (2-Cyclopentene-1-)-8c-pentadecenoic acid
  • 15-(2'-Cyclopenten-1'-yl)-8c-pentadecensaeure
LM ID
LMFA01140045
Formula
C20H34O2
Exact Mass
Calculate m/z
306.255881
Sum Composition
FA 20:3
Status
Curated
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)
KAKYPXHOBZXCNY-UPHRSURJSA-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/h1-2,13,16,19H,3-12,14-15,17-18H2,(H,21,22)/b2-1-
SMILES (Click to copy)
C(O)(=O)CCCCCC/C=C\CCCCCCC1CCC=C1

Other Databases

PubChem CID
131839794
PlantFA ID
10231

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

Admin

Created at
-
Updated at
-