LIPID MAPS

Common Name

LacCer(d17:1(4E)/22:1(13Z)(2OH[R]))

Systematic Name

N-(2R-hydroxy-13Z-docosenoyl)-1-β-lactosyl-4E-heptadecasphingenine

LM ID

LMSP05019KOZ

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

945.675259

Formula

C₅₁H₉₅NO₁₄

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MDLMOL SDF CSV TSV PNG

MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Classification

String Representations

InChiKey (Click to copy)

YADZEMSEOHVMBA-BLCDVVSQSA-N

InChi (Click to copy)

InChI=1S/C51H95NO14/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-40(56)49(62)52-38(39(55)33-31-29-27-25-23-16-14-12-10-8-6-4-2)37-63-50-47(61)45(59)48(42(36-54)65-50)66-51-46(60)44(58)43(57)41(35-53)64-51/h17-18,31,33,38-48,50-51,53-61H,3-16,19-30,32,34-37H2,1-2H3,(H,52,62)/b18-17-,33-31+/t38-,39+,40+,41+,42+,43-,44?,45?,46?,47?,48+,50+,51-/m0/s1

SMILES (Click to copy)

[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)C(O)C2O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCC