LIPID MAPS

Common Name

LacCer(d16:2(4E,8E)/20:0(2OH[R]))

Systematic Name

N-(2R-hydroxyeicosanoyl)-1-β-lactosyl-4E,8E-hexadecasphingadienine

LM ID

LMSP05019KNK

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

903.628309

Formula

C₄₈H₈₉NO₁₄

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)

ATMQCBXSPYYEJV-MZLZXWCQSA-N

InChi (Click to copy)

InChI=1S/C48H89NO14/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-37(53)46(59)49-35(36(52)30-28-26-24-22-20-14-12-10-8-6-4-2)34-60-47-44(58)42(56)45(39(33-51)62-47)63-48-43(57)41(55)40(54)38(32-50)61-48/h20,22,28,30,35-45,47-48,50-58H,3-19,21,23-27,29,31-34H2,1-2H3,(H,49,59)/b22-20+,30-28+/t35-,36+,37+,38+,39+,40-,41?,42?,43?,44?,45+,47+,48-/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)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CC/C=C/CCCCCCC