Ganglioside GT3 (d18:1(4E)/iso17:0)

Properties Image Occurences in reactions MNX_ID MNXM525681 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H137N4O37 charge -3 mass 1745.89781 reference slm:000487107 InChIKey FWWCMMUOILBSMW-ACAKCNAUSA-K InChI InChI=1S/C80H140N4O37/c1-7-8-9-10-11-12-13-14-17-20-23-26-29-32-48(93)47(84-57(98)33-30-27-24-21-18-15-16-19-22-25-28-31-43(2)3)42-112-73-66(104)65(103)68(56(41-89)114-73)115-74-67(105)72(62(100)53(38-86)113-74)121-80(77(110)111)36-51(96)60(83-46(6)92)71(120-80)64(102)55(40-88)117-79(76(108)109)35-50(95)59(82-45(5)91)70(119-79)63(101)54(39-87)116-78(75(106)107)34-49(94)58(81-44(4)90)69(118-78)61(99)52(97)37-85/h29,32,43,47-56,58-74,85-89,93-97,99-105H,7-28,30-31,33-42H2,1-6H3,(H,81,90)(H,82,91)(H,83,92)(H,84,98)(H,106,107)(H,108,109)(H,110,111)/p-3/b32-29+/t47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,58+,59+,60+,61+,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72-,73+,74-,78+,79+,80-/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](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](CO)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)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph