Ganglioside GA1 (d18:1(4E)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))

Properties Image Occurences in reactions MNX_ID MNXM521897 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C76H130N2O23 charge 0 mass 1438.90644 reference slm:000487444 InChIKey XUOIQXVHWDDUHI-HRIVDECXSA-N InChI InChI=1S/C76H130N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-60(85)78-54(55(84)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)52-94-74-68(92)65(89)71(58(50-81)97-74)100-76-69(93)66(90)70(59(51-82)98-76)99-73-61(77-53(3)83)72(63(87)57(49-80)95-73)101-75-67(91)64(88)62(86)56(48-79)96-75/h6,8,12,14,18-19,21-22,24-25,27-28,44,46,54-59,61-76,79-82,84,86-93H,4-5,7,9-11,13,15-17,20,23,26,29-43,45,47-52H2,1-3H3,(H,77,83)(H,78,85)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-,46-44+/t54-,55+,56+,57+,58+,59+,61+,62-,63-,64-,65+,66+,67+,68+,69+,70-,71+,72+,73-,74+,75-,76-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)N[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@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph