Structure Database (LMSD)
Common Name
(+/-)8,9-EpETrE-(d8)
Systematic Name
8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid-(d8)
Synonyms
LM ID
LMFA03050021
Formula
Exact Mass
Calculate m/z
328.285361
Status
Active (Isotopically labelled standard)
3D model of (+/-)8,9-EpETrE-(d8)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DBWQSCSXHFNTMO-CWIIEWQYSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/i6D,7D,9D,10D,12D,13D,18D,19D
SMILES (Click to copy)
C(C1(OC1([2H])C/C(/[2H])=C(/[2H])\CCCC(=O)O)[2H])/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCCC
References
Admin
Created at
-
Updated at
29th Jan 2021