LIPID MAPS

Structure Database (LMSD)

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Common Name

Resolvin E4

Systematic Name

5S,15S-dihydroxy-6E,8Z,11Z,13E,17Z-eicosapentaenoic acid

Synonyms

RvE4

LM ID

LMFA03140013

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)

LDMMGUBETORQEF-XATCTRGMSA-N

InChi (Click to copy)

InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h3,5-11,14-15,18-19,21-22H,2,4,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,9-3-,14-10+,15-11+/t18-,19+/m0/s1

SMILES (Click to copy)

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

Resolution metabolomes activated by hypoxic environment.,
Sci Adv, 2019

Pubmed ID: 31681846

DOI: 10.1126/sciadv.aax4895

Other Databases

PubChem CID

88989279

Cayman ID

29590

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

Admin

Created at

13th Oct 2020

Updated at