Structure Database (LMSD)

Common Name
Protectin D2n‑3 DPA
Systematic Name
16R,17S-dihydroxy-7Z,10Z,12E,14E,19Z-docosapentaenoic acid
Synonyms
  • PD2n‑3 DPA
LM ID
LMFA04000097
Formula
Exact Mass
Calculate m/z
362.24571
Sum Composition
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
The First Total Synthesis of the Lipid Mediator PD2n-3 DPA.,
J Nat Prod, 2020
Pubmed ID: 32543839

String Representations

InChiKey (Click to copy)
HRNHRTOXACGZNE-ACYSBPNLSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21+/m0/s1
SMILES (Click to copy)
C(CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CC)(=O)O

Other Databases

PubChem CID

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