Structure Database (LMSD)

Common Name
(+/-)11,12-EpETrE-d8
Systematic Name
11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid-d8
Synonyms
LM ID
LMFA03080011
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]
Epoxyeicosatrienoic acids [FA0308]

String Representations

InChiKey (Click to copy)
DXOYQVHGIODESM-CXNOEZBLSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-/i6D,8D,9D,10D,12D,13D,18D,19D
SMILES (Click to copy)
C(/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCC(=O)O)C1([2H])OC1([2H])C/C(/[2H])=C(/[2H])\CCCCC

References

Comments
Synthetic deuterated standard

Taxonomy Information

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

Other Databases

PubChem CID
16061133

Admin

Created at
-
Updated at
29th Jan 2021