LIPID MAPS

Structure Database (LMSD)

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Common Name

SM(d18:1/18:1(9Z))-d9

Systematic Name

N-(9Z-octadecenoyl)-sphing-4-enine-1-phosphocholine-d9

Synonyms

N-oleoyl-D-erythro-sphingosylphosphorylcholine-d9

LM ID

LMSP03010103

Formula

C₄₁H₇₂D₉N₂O₆P

Exact Mass

Calculate m/z

737.639715

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)

NBEADXWAAWCCDG-MIYYSBRESA-N

InChi (Click to copy)

InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b21-20-,34-32+/t39-,40+/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(CCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC