Ganglioside GT1a (d18:1(4E)/22:3(10Z,13Z,16Z))

Properties Image Occurences in reactions MNX_ID MNXM525090 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H164N5O47 charge -3 mass 2175.06131 reference slm:000486664 InChIKey OJWIIKWAEKWMBS-JJWRKLSGSA-K InChI InChI=1S/C99H167N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-68(122)104-56(57(116)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)51-138-91-79(129)78(128)82(66(49-110)141-91)143-93-81(131)89(151-99(96(136)137)43-59(118)70(101-53(4)113)86(148-99)74(124)62(121)45-106)83(67(50-111)142-93)144-90-72(103-55(6)115)84(75(125)63(46-107)139-90)145-92-80(130)88(76(126)64(47-108)140-92)150-98(95(134)135)42-60(119)71(102-54(5)114)87(149-98)77(127)65(48-109)146-97(94(132)133)41-58(117)69(100-52(3)112)85(147-97)73(123)61(120)44-105/h15,17,21-22,24-25,37,39,56-67,69-93,105-111,116-121,123-131H,7-14,16,18-20,23,26-36,38,40-51H2,1-6H3,(H,100,112)(H,101,113)(H,102,114)(H,103,115)(H,104,122)(H,132,133)(H,134,135)(H,136,137)/p-3/b17-15-,22-21-,25-24-,39-37+/t56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,69+,70+,71+,72+,73+,74+,75-,76-,77+,78+,79+,80+,81+,82+,83-,84+,85+,86+,87+,88-,89+,90-,91+,92-,93-,97+,98-,99-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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](CO)O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)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