Structure Database (LMSD)

D D D D OH OH O
Common Name
13S-HODE-(d4)
Systematic Name
13S-hydroxy-9Z,11E-octadecadienoic acid-(d4)
Synonyms
LM ID
LMFA02000236
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)
HNICUWMFWZBIFP-QEYKCUBVSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1/i7D,9D,15D,17D
SMILES (Click to copy)
OC(=O)CCCCCCC/C(/[2H])=C(/[2H])\C=C(/[2H])\[C@@]([2H])(O)CCCCC

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

KEGG ID
C14762
HMDB ID
HMDB06939
PubChem CID
42607290
Cayman ID
338610

Admin

Created at
-
Updated at
29th Jan 2021