Structure Database (LMSD)

Common Name
Paullinic acid
Systematic Name
13Z-eicosenoic acid
Synonyms
  • C20:1n-7
LM ID
LMFA01030367
Status
Active
Exact Mass
Calculate m/z
310.28718
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
URXZXNYJPAJJOQ-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Paullinia cupana (#392747)
Magnoliopsida (#3398)
Seed oil composition of Paullinia cupana var. sorbilis (Mart.) Ducke.,
Lipids, 2003
Pubmed ID: 14506841
Pristipomoides filamentosus (#398258)
Actinopteri (#186623)
Quantitative Analysis of the Distribution of cis-Eicosenoic Acid Positional Isomers in Marine Fishes from the Indian Ocean.,
J Oleo Sci, 2017
Pubmed ID: 28100885

Other Databases

Wikipedia
LIPIDAT ID
3533
HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 366.86
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.89
Molar Refractivity 96.32

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
17th May 2022