Structure Database (LMSD)

Common Name
Protectin D1n-3 DPA
Systematic Name
10R,17S-dihydroxy-7Z,11E,13E,15Z,19Z-docosapentaenoic acid
Synonyms
  • PD1n-3 DPA
LM ID
LMFA04000096
Formula
C22H34O4
Exact Mass
Calculate m/z
362.24571
Sum Composition
FA 22:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Other Docosanoids [FA0400]

String Representations

InChiKey (Click to copy)
QJJOLZOJRISMDP-UENSAESPSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,6,8-13,17-18,20-21,23-24H,2,4-5,7,14-16,19H2,1H3,(H,25,26)/b9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
The novel lipid mediator PD1n-3 DPA: An overview of the structural elucidation, synthesis, biosynthesis and bioactions.,
Prostaglandins Other Lipid Mediat, 2017
Pubmed ID: 28602942

Other Databases

CHEBI ID
140265
PubChem CID
86288884

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 408.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 5.29
Molar Refractivity 108.98

Admin

Created at
15th Oct 2020
Updated at
15th Oct 2020