Structure Database (LMSD)
Common Name
15-deoxy-delta-12,14-PGJ2-d4
Systematic Name
11-oxo-5Z,9,12E,14Z-prostatetraenoic acid-d4
Synonyms
- 15-deoxy-delta-12,14-Prostaglandin J2-d4
LM ID
LMFA03010177
Formula
Exact Mass
Calculate m/z
320.228953
Status
Active (Isotopically labelled standard)
3D model of 15-deoxy-delta-12,14-PGJ2-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)
VHRUMKCAEVRUBK-IYZFCGLQSA-N
InChi (Click to copy)
InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6-,18-13+/t17-/m0/s1/i8D2,11D2
SMILES (Click to copy)
C1(=C/C=C\CCCCC)\C(=O)C=C[C@@H]\1C/C=C\C([2H])([2H])C([2H])([2H])CC(=O)O
References
Admin
Created at
-
Updated at
29th Jan 2021