LIPID MAPS

Structure Database (LMSD)

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Common Name

SM(d18:1/16:1(9Z))-d9

Systematic Name

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

Synonyms

N-palmitoleoyl-D-erythro-sphingosylphosphorylcholine-d9

LM ID

LMSP03010104

Formula

C₃₉H₆₈D₉N₂O₆P

Exact Mass

Calculate m/z

709.608415

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)

OAHFTKWSJGVMTG-RHYICCDASA-N

InChi (Click to copy)

InChI=1S/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,30,32,37-38,42H,6-16,18,20-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b19-17-,32-30+/t37-,38+/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\CCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC