LIPID MAPS

Common Name

LacCer(d16:2(4E,6E)/13:0(2OH[R]))

Systematic Name

N-(2R-hydroxydodecanoyl)-1-β-lactosyl-4E,6E-hexadecasphingadienine

LM ID

LMSP05019KMS

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

805.518759

Formula

C₄₁H₇₅NO₁₄

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)

ATGRHRPEUINZJN-MKNVYACASA-N

InChi (Click to copy)

InChI=1S/C41H75NO14/c1-3-5-7-9-11-13-14-16-17-19-21-23-29(45)28(42-39(52)30(46)24-22-20-18-15-12-10-8-6-4-2)27-53-40-37(51)35(49)38(32(26-44)55-40)56-41-36(50)34(48)33(47)31(25-43)54-41/h17,19,21,23,28-38,40-41,43-51H,3-16,18,20,22,24-27H2,1-2H3,(H,42,52)/b19-17+,23-21+/t28-,29+,30+,31+,32+,33-,34?,35?,36?,37?,38+,40+,41-/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)CCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCCCC