Resolvin E1

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Systematic / IUPAC Name: (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxy-6,8,10,14,16-icosapentaenoic acid

ID: Reference9922

Other Names: RvE1;
(5S,12R,18R)-Trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoic acid;
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoic acid;
(6Z,8E,10E,14Z,16E)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoic acid;
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid ; more

Formula: C20H30O5

Class: Endogenous Metabolites

Spectral Data

Resolvin E1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 427
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/11/2020 11:38:39 AM
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Identificators

InChI InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,18+,19-/m1/s1
InChI Key AOPOCGPBAIARAV-OTBJXLELSA-N
Canonical SMILES CCC(C=CC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O)O
CAS 552830510
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Other Names RvE1;
(5S,12R,18R)-Trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoic acid;
(5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoic acid;
(6Z,8E,10E,14Z,16E)-5,12,18-Trihydroxyicosa-6,8,10,14,16-pentaenoic acid;
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid;
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-epa;
6,8,10,14,16-Eicosapentaenoic acid, 5,12,18-trihydroxy-, (5S,6Z,8E,10E,12R,14Z,16E,18R)-

In Other Databases

ChEBI CHEBI:81559
PubChem 10473088
KEGG C18171
ChemSpider 8648499
DrugBank DB13105
ChEMBL CHEMBL1742483