LIPID MAPS

Structure Database (LMSD)

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Common Name

SM(d18:1/24:1(15Z))-d9

Systematic Name

N-(15Z-tetracosenoyl)-sphing-4-enine-1-phosphocholine-d9

Synonyms

N-Nervonoyl-D-erythro-sphingosylphosphorylcholine-d9

LM ID

LMSP03010107

Formula

C₄₇H₈₄D₉N₂O₆P

Exact Mass

Calculate m/z

821.733615

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)

WKZHECFHXLTOLJ-IYLJXMDBSA-N

InChi (Click to copy)

InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b21-20-,40-38+/t45-,46+/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(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC