Structure Database (LMSD)

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

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Resolvin Es [FA0314]

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

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

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
13th Oct 2020