N-omega-CD7-Octadecanoyl monosialoganglioside GM2 NH4+ salt

Smiles: OC[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@@]2([H])[C@@H]([C@@]([C@H]([C@H](O2)CO)O[C@]3([H])O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O)O)CO)([H])O[C@]4(C([O-])=O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H]([C@H](O)CO)O)O4)O)O[C@H]1OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O.[NH4+]

InChI: InChI=1S/C67H121N3O26.H3N/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71;/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88);1H3/b33-31+;/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-;/m0./s1/i1D3,5D2,7D2;

InChIKey: OUYSNHGGXMUSJO-WHQUDGAJSA-N