LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

12S-HETE-d8

Systematic Name

12S-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid-d8

Synonyms

LM ID

LMFA03060081

Formula

C₂₀H₂₄D₈O₃

Exact Mass

Calculate m/z

328.285361

Status

Active (Isotopically labelled standard)

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZNHVWPKMFKADKW-OPXGWVKSSA-N

InChi (Click to copy)

InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1/i7D,8D,9D,10D,11D,13D,17D,19D

SMILES (Click to copy)

C(/[2H])(\CCCC(=O)O)=C(/[2H])\C/C(/[2H])=C(/[2H])\C=C(/[2H])\[C@@]([2H])(O)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

CHEBI ID

34146

PubChem CID

6914100

Cayman ID

334570

Admin

Created at

Updated at

29th Jan 2021