(KDN,Neu5Ac)GD1a 2(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM26901 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H141N3O39 charge 0 mass 1767.91422 reference lipidmapsM:LMSP0601CD01 InChIKey MUVNTHSULHBWIX-PFLLEKAFSA-N InChI InChI=1S/C80H141N3O39/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45(91)44(83-54(96)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)40-111-74-64(104)62(102)68(51(38-87)114-74)118-75-65(105)63(103)67(52(39-88)115-75)117-73-56(82-43(4)90)69(61(101)53(116-73)41-112-79(77(107)108)33-46(92)55(81-42(3)89)70(120-79)58(98)48(94)35-84)119-76-66(106)72(60(100)50(37-86)113-76)122-80(78(109)110)34-47(93)57(97)71(121-80)59(99)49(95)36-85/h29,31,44-53,55-76,84-88,91-95,97-106H,5-28,30,32-41H2,1-4H3,(H,81,89)(H,82,90)(H,83,96)(H,107,108)(H,109,110)/b31-29+/t44-,45+,46?,47?,48+,49+,50?,51?,52?,53?,55+,56?,57+,58+,59+,60-,61-,62+,63+,64?,65?,66?,67-,68+,69+,70?,71?,72-,73-,74+,75-,76-,79+,80-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph