Structure Database (LMSD)
Common Name
9S-HODE-d4
Systematic Name
9S-hydroxy-10E,12Z-octadecadienoic acid-d4
Synonyms
LM ID
LMFA02000231
Formula
Exact Mass
Calculate m/z
300.260253
Status
Active (Isotopically labelled standard)
3D model of 9S-HODE-d4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
NPDSHTNEKLQQIJ-VKLCZNAWSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i6D,8D,14D,17D
SMILES (Click to copy)
C(CCCCCCC[C@]([2H])(O)/C(/[2H])=C/C(/[2H])=C(/[2H])\CCCCC)(=O)O
References
Admin
Created at
-
Updated at
29th Jan 2021