LIPID MAPS

Structure Database (LMSD)

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Common Name

SM(d18:1/22:1(13Z))-d9

Systematic Name

N-(13Z-docosenoyl)-sphing-4-enine-1-phosphocholine-d9

Synonyms

N-erucoyl-D-erythro-sphingosylphosphorylcholine-d9

LM ID

LMSP03010106

Formula

C₄₅H₈₀D₉N₂O₆P

Exact Mass

Calculate m/z

793.702315

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)

VBFKEZGCUWHGSK-PAFWCHNCSA-N

InChi (Click to copy)

InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/b21-20-,38-36+/t43-,44+/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(CCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC