Ganglioside GD3 (d18:1(4E)/26:5(11Z,14Z,17Z,20Z,23Z))

Properties Image Occurences in reactions MNX_ID MNXM523166 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C78H129N3O29 charge -2 mass 1571.87227 reference slm:000487007 InChIKey XJKXEVVGYKGANR-OXUMAPLFSA-L InChI InChI=1S/C78H131N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-60(92)81-52(53(88)41-39-37-35-33-31-29-18-16-14-12-10-8-6-2)49-103-73-67(97)66(96)69(59(48-85)105-73)106-74-68(98)72(64(94)57(46-83)104-74)110-78(76(101)102)44-55(90)62(80-51(4)87)71(109-78)65(95)58(47-84)107-77(75(99)100)43-54(89)61(79-50(3)86)70(108-77)63(93)56(91)45-82/h7,9,13,15,19-20,22-23,25-26,39,41,52-59,61-74,82-85,88-91,93-98H,5-6,8,10-12,14,16-18,21,24,27-38,40,42-49H2,1-4H3,(H,79,86)(H,80,87)(H,81,92)(H,99,100)(H,101,102)/p-2/b9-7-,15-13-,20-19-,23-22-,26-25-,41-39+/t52-,53+,54-,55-,56+,57+,58+,59+,61+,62+,63+,64-,65+,66+,67+,68+,69+,70+,71+,72-,73+,74-,77+,78-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph