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
Resolvin E1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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)- |
ChEBI | CHEBI:81559 |
PubChem | 10473088 |
KEGG | C18171 |
ChemSpider | 8648499 |
DrugBank | DB13105 |
ChEMBL | CHEMBL1742483 |