Ganglioside GM1b (d18:1(4E)/22:4(7Z,10Z,13Z,16Z))

Properties Image Occurences in reactions MNX_ID MNXM523566 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H130N3O31 charge -1 mass 1592.86938 reference slm:000486541 InChIKey YKMWHMQKRYFHMZ-LXKCROOXSA-M InChI InChI=1S/C77H131N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-56(91)80-48(49(88)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2)45-102-73-64(97)62(95)68(54(43-84)105-73)108-74-65(98)63(96)67(55(44-85)106-74)107-72-58(79-47(4)87)69(60(93)52(41-82)103-72)109-75-66(99)71(61(94)53(42-83)104-75)111-77(76(100)101)39-50(89)57(78-46(3)86)70(110-77)59(92)51(90)40-81/h13,15,19-20,22-23,26,28,35,37,48-55,57-75,81-85,88-90,92-99H,5-12,14,16-18,21,24-25,27,29-34,36,38-45H2,1-4H3,(H,78,86)(H,79,87)(H,80,91)(H,100,101)/p-1/b15-13-,20-19-,23-22-,28-26-,37-35+/t48-,49+,50-,51+,52+,53+,54+,55+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66+,67-,68+,69+,70+,71-,72-,73+,74-,75-,77-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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@]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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph