LIPID MAPS

Common Name

PI-Cer(d18:2(4E,14Z)/11:0(2OH[R]))

Systematic Name

N-(2R-hydroxyundecanoyl)-4E,14Z-sphingadienine-1-phospho-(1'-myo-inositol)

LM ID

LMISSP03039B1W

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

723.432267

Formula

C₃₅H₆₆NO₁₂P

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)

WSYRDDFXBGEKII-MOKJQYENSA-N

InChi (Click to copy)

InChI=1S/C35H66NO12P/c1-3-5-7-9-11-12-13-14-15-16-18-19-21-23-27(37)26(36-35(44)28(38)24-22-20-17-10-8-6-4-2)25-47-49(45,46)48-34-32(42)30(40)29(39)31(41)33(34)43/h7,9,21,23,26-34,37-43H,3-6,8,10-20,22,24-25H2,1-2H3,(H,36,44)(H,45,46)/b9-7-,23-21+/t26-,27+,28+,29?,30+,31?,32?,33?,34+/m0/s1

SMILES (Click to copy)

[C@](COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)([H])(NC([C@H](O)CCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC