LIPID MAPS

Common Name

LacCer(d17:1(8E)/18:1(9Z)(2OH[R]))

Systematic Name

N-(2R-hydroxy-9Z-octadecenoyl)-1-β-lactosyl-4E-heptadecasphingenine

LM ID

LMSP05019KPI

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

889.612659

Formula

C₄₇H₈₇NO₁₄

Download as...

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)

FTQMMVQANPZWPP-QZXGVZCXSA-N

InChi (Click to copy)

InChI=1S/C47H87NO14/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-36(52)45(58)48-34(35(51)29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-59-46-43(57)41(55)44(38(32-50)61-46)62-47-42(56)40(54)39(53)37(31-49)60-47/h17-19,21,34-44,46-47,49-57H,3-16,20,22-33H2,1-2H3,(H,48,58)/b18-17-,21-19+/t34-,35+,36+,37+,38+,39-,40?,41?,42?,43?,44+,46+,47-/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)CCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCC