Ganglioside GD1a alpha (d18:1(4E)/6:0)

Properties Image Occurences in reactions MNX_ID MNXM522739 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C72H122N4O39 charge -2 mass 1666.76972 reference slm:000486225 InChIKey QPTHGSXMNUYORX-KSENXCIBSA-L InChI InChI=1S/C72H124N4O39/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-37(85)36(76-46(90)23-20-9-7-2)31-104-66-56(97)54(95)60(43(29-80)107-66)111-67-57(98)55(96)59(44(30-81)108-67)110-65-49(75-35(5)84)61(53(94)45(109-65)32-105-71(69(100)101)24-38(86)47(73-33(3)82)62(113-71)50(91)40(88)26-77)112-68-58(99)64(52(93)42(28-79)106-68)115-72(70(102)103)25-39(87)48(74-34(4)83)63(114-72)51(92)41(89)27-78/h21-22,36-45,47-68,77-81,85-89,91-99H,6-20,23-32H2,1-5H3,(H,73,82)(H,74,83)(H,75,84)(H,76,90)(H,100,101)(H,102,103)/p-2/b22-21+/t36-,37+,38-,39-,40+,41+,42+,43+,44+,45+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62+,63+,64-,65-,66+,67-,68-,71+,72-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCC

Parent-child relations graph

Deprecated MNXref IDs graph