Neu5Ac)GD1a(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27093 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C80H141N3O39 charge 0 mass 1767.91422 reference lipidmapsM:LMSP0601CB01 InChIKey KHCABOJMTUDPGS-PYMBIROBSA-N InChI InChI=1S/C80H141N3O39/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45(92)44(83-54(97)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)41-111-74-63(104)62(103)66(52(39-88)114-74)116-76-65(106)72(122-79(77(107)108)33-46(93)55(81-42(3)90)69(119-79)58(99)48(95)35-84)67(53(40-89)115-76)117-73-56(82-43(4)91)68(60(101)50(37-86)112-73)118-75-64(105)71(61(102)51(38-87)113-75)121-80(78(109)110)34-47(94)57(98)70(120-80)59(100)49(96)36-85/h29,31,44-53,55-76,84-89,92-96,98-106H,5-28,30,32-41H2,1-4H3,(H,81,90)(H,82,91)(H,83,97)(H,107,108)(H,109,110)/b31-29+/t44-,45+,46?,47?,48+,49+,50?,51?,52?,53?,55+,56?,57+,58+,59+,60-,61-,62+,63?,64?,65?,66+,67-,68+,69?,70?,71-,72+,73-,74+,75-,76-,79-,80-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O5)C4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph