LIPID MAPS

Structure Database (LMSD)

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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

C₂₂H₃₄O₄

Exact Mass

Calculate m/z

362.24571

Sum Composition

FA 22:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

The First Total Synthesis of the Lipid Mediator PD2_n-3 DPA.,
J Nat Prod, 2020

Pubmed ID: 32543839

DOI: 10.1021/acs.jnatprod.0c00385

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

171121001

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

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Created at

15th Oct 2020

Updated at