Structure Database (LMSD)

D D D D OH O OH
Common Name
9S-HODE-d4
Systematic Name
9S-hydroxy-10E,12Z-octadecadienoic acid-d4
Synonyms
LM ID
LMFA02000231
Formula
C18H28D4O3
Exact Mass
Calculate m/z
300.260253
Status
Active (Isotopically labelled standard)
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]

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

Comments
Synthetic deuterated standard

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthetic deuterated standard

Other Databases

KEGG ID
C14767
HMDB ID
HMDB04670
CHEBI ID
34496
PubChem CID
16061038
Cayman ID
25368

Admin

Created at
-
Updated at
29th Jan 2021