Structure Database (LMSD)
Common Name
12S-HETE-d8
Systematic Name
12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid-d8
Synonyms
LM ID
LMFA03060081
Formula
Exact Mass
Calculate m/z
328.285361
Status
Active (Isotopically labelled standard)
3D model of 12S-HETE-d8
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Synthetic deuterated standard
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
ZNHVWPKMFKADKW-OPXGWVKSSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1/i7D,8D,9D,10D,11D,13D,17D,19D
SMILES (Click to copy)
C(/[2H])(\CCCC(=O)O)=C(/[2H])\C/C(/[2H])=C(/[2H])\C=C(/[2H])\[C@@]([2H])(O)C/C(/[2H])=C(/[2H])\CCCCC
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Created at
-
Updated at
29th Jan 2021