LIPID MAPS

Common Name

LacCer(d22:1(8E)/20:1(11Z)(2OH[R]))

Systematic Name

N-(2R-hydroxy-11Z-eicosenoyl)-1-β-lactosyl-8E-docosasphingenine

LM ID

LMSP05019K1U

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

987.722209

Formula

C₅₄H₁₀₁NO₁₄

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)

WEFRTQDHKNTFBL-PDKAJCRYSA-N

InChi (Click to copy)

InChI=1S/C54H101NO14/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-42(58)41(55-52(65)43(59)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2)40-66-53-50(64)48(62)51(45(39-57)68-53)69-54-49(63)47(61)46(60)44(38-56)67-54/h18,20,26,28,41-51,53-54,56-64H,3-17,19,21-25,27,29-40H2,1-2H3,(H,55,65)/b20-18-,28-26+/t41-,42+,43+,44+,45+,46-,47?,48?,49?,50?,51+,53+,54-/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)CCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCC/C=C/CCCCCCCCCCCCC