9-O-Acetylated GD3 (homo sapiens)

Properties Image Occurences in reactions MNX_ID MNXM6987 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 7 formula C56H95N3O30 charge 0 mass 1289.60004 reference biggM:oagd3_hs InChIKey ODBNHBMRTCHJEH-RYXDBFSOSA-N InChI InChI=1S/C56H95N3O30/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(67)31(57-27(2)63)25-82-51-45(75)44(74)47(38(24-62)84-51)85-52-46(76)50(42(72)36(22-60)83-52)89-56(54(79)80)21-34(69)40(59-29(4)65)49(88-56)43(73)37(23-61)86-55(53(77)78)20-33(68)39(58-28(3)64)48(87-55)41(71)35(70)26-81-30(5)66/h18-19,31-52,60-62,67-76H,6-17,20-26H2,1-5H3,(H,57,63)(H,58,64)(H,59,65)(H,77,78)(H,79,80)/b19-18+/t31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51+,52-,55+,56-/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](O)COC(C)=O)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph