LIPID MAPS

Structure Database (LMSD)

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Common Name

SM(d18:1/20:1(11Z))-d9

Systematic Name

N-(11Z-eicosenoyl)-sphing-4-enine-1-phosphocholine-d9

Synonyms

N-eicos-11Z-enoyl-D-erythro-sphingosylphosphorylcholine-d9

LM ID

LMSP03010105

Formula

C₄₃H₇₆D₉N₂O₆P

Exact Mass

Calculate m/z

765.671015

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Synthetic deuterated standard

String Representations

InChiKey (Click to copy)

MDRFMTLYKHBJTF-YIUBPXDCSA-N

InChi (Click to copy)

InChI=1S/C43H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,34,36,41-42,46H,6-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b21-20-,36-34+/t41-,42+/m0/s1/i3D3,4D3,5D3

SMILES (Click to copy)

[C@](COP(=O)([O-])OCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])([H])(NC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC