Structure Database (LMSD)

Common Name
(+/-)14,15-EpETrE-(d8)
Systematic Name
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid-(d8)
Synonyms
LM ID
LMFA03050020
Status
Active (Isotopically labelled standard)
Exact Mass
Calculate m/z
328.285361
Formula
C20H24D8O3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

String Representations

InChiKey (Click to copy)
JBSCUHKPLGKXKH-DSPKLGAASA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/i4D,6D,7D,9D,10D,13D,18D,19D
SMILES (Click to copy)
C(/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCC(=O)O)/C(/[2H])=C(/[2H])\CC1([2H])OC1([2H])CCCCC

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

KEGG ID
C14771
HMDB ID
HMDB04264
PubChem CID
42607307

Admin

Created at
-
Updated at
29th Jan 2021