Structure Database (LMSD)
Common Name
9(S)-HETE-d8
Systematic Name
9S-hydroxy-eicosa-5Z,7E,11Z,14Z-tetraenoic-5,6,8,9,11,12,14,15-d8 acid
Synonyms
- 9(S)-Hydroxyeicosatetraenoic Acid-d8
3D model of 9(S)-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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
KATOYYZUTNAWSA-KTKFBEHZSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m0/s1/i6D,7D,9D,10D,11D,13D,17D,19D
SMILES (Click to copy)
C(CCC/C(/[2H])=C(/[2H])\C=C(/[2H])\[C@@]([2H])(O)C/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
367.73
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.47
Molar Refractivity
97.94
Admin
Created at
25th Mar 2025
Updated at
25th Mar 2025