Ganglioside GT1a alpha (d18:1(4E)/20:3(11Z,14Z,17Z))

Properties Image Occurences in reactions MNX_ID MNXM525165 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C97H160N5O47 charge -3 mass 2147.03001 reference slm:000485904 InChIKey AGYZQDYOPUVXMS-OQXARXLISA-K InChI InChI=1S/C97H163N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-66(120)102-54(55(113)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)48-136-89-77(127)76(126)80(63(46-107)139-89)142-91-79(129)87(149-97(94(134)135)41-58(116)69(100-52(5)111)85(147-97)73(123)61(119)44-105)81(64(47-108)140-91)143-88-70(101-53(6)112)82(75(125)65(141-88)49-137-95(92(130)131)39-56(114)67(98-50(3)109)83(145-95)71(121)59(117)42-103)144-90-78(128)86(74(124)62(45-106)138-90)148-96(93(132)133)40-57(115)68(99-51(4)110)84(146-96)72(122)60(118)43-104/h9,11,15,17,21-22,35,37,54-65,67-91,103-108,113-119,121-129H,7-8,10,12-14,16,18-20,23-34,36,38-49H2,1-6H3,(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/p-3/b11-9-,17-15-,22-21-,37-35+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,67+,68+,69+,70+,71+,72+,73+,74-,75-,76+,77+,78+,79+,80+,81-,82+,83+,84+,85+,86-,87+,88-,89+,90-,91-,95+,96-,97-/m0/s1 SMILES CC/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]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@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph