Ganglioside GT1a (d18:1(4E)/2:0)

Properties Image Occurences in reactions MNX_ID MNXM525113 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H130N5O47 charge -3 mass 1900.79526 reference slm:000486725 InChIKey NHHPIOIDCJURQS-PWHFCSKWSA-K InChI InChI=1S/C79H133N5O47/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(97)37(80-32(2)92)31-118-71-59(109)58(108)62(47(29-90)121-71)123-73-61(111)69(131-79(76(116)117)23-40(99)50(82-34(4)94)66(128-79)54(104)43(102)25-86)63(48(30-91)122-73)124-70-52(84-36(6)96)64(55(105)44(26-87)119-70)125-72-60(110)68(56(106)45(27-88)120-72)130-78(75(114)115)22-41(100)51(83-35(5)95)67(129-78)57(107)46(28-89)126-77(74(112)113)21-39(98)49(81-33(3)93)65(127-77)53(103)42(101)24-85/h19-20,37-73,85-91,97-111H,7-18,21-31H2,1-6H3,(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,84,96)(H,112,113)(H,114,115)(H,116,117)/p-3/b20-19+/t37-,38+,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61+,62+,63-,64+,65+,66+,67+,68-,69+,70-,71+,72-,73-,77+,78-,79-/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]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)NC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph