LIPID MAPS

Structure Database (LMSD)

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Common Name

18R-Resolvin E3

Systematic Name

17R,18R-dihydroxy-5Z,8Z,11Z,13E,15E-eicosapentaenoic acid

Synonyms

18R-RvE3
17,18-diHEPE
17R,18R-diHEPE

LM ID

LMFA03140006

Formula

C₂₀H₃₀O₄

Exact Mass

Calculate m/z

334.21441

Sum Composition

FA 20:5;O2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

WYCMUVNNXSREQB-HVPSRUGQSA-N

InChi (Click to copy)

InChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,12-10+,16-14+/t18-,19-/m1/s1

SMILES (Click to copy)

C(CCC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@H](O)CC)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Identification and structure determination of novel anti-inflammatory mediator resolvin E3, 17,18-dihydroxyeicosapentaenoic acid.,
J Biol Chem, 2012

Pubmed ID: 22275352

DOI: 10.1074/jbc.M112.340612

Cylindrotheca closterium (#2856)

Bacillariophyceae (#33849)

14,17,18-Trihydroxy-Eicosatetraenoic Acid: A Novel Pro-Resolving Lipid Mediator from Marine Microalgae.,
ACS Pharmacol Transl Sci, 2021

Pubmed ID: 34151208

DOI: 10.1021/acsptsci.1c00057

Other Databases

PubChem CID

56848721

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 0

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 373.88

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 4.51

Molar Refractivity 99.75

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Created at

Updated at

18th Jul 2021