Chemical Component Summary

Namesphingomyelin
FormulaC47 H94 N2 O6 P
Molecular Weight814.233
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O
InChIInChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50,52H,6-19,22-37,39,41-44H2,1-5H3/q-1/p+1/b21-20-,40-38+/t45-,46+/m0/s1
InChIKeyNHYQHBPEJLFFSO-QYKFWSDSSA-O

Chemical Details

Formal Charge0
Atom Count150
Chiral Atom Count2
Bond Count149
Aromatic Bond Count0