KDN-(2-6)-neolactotetraosylceramide/sialyl-(2-6)-paragloboside(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM27876 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C77H140N2O31 charge 0 mass 1588.94401 reference lipidmapsM:LMSP0601GG05 InChIKey QMLDTIMNYVJZGE-ZYVRROTLSA-N InChI InChI=1S/C77H140N2O31/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-56(88)79-48(49(85)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)45-101-73-66(97)64(95)69(54(44-83)105-73)108-75-67(98)70(61(92)52(42-81)103-75)109-72-57(78-47(3)84)62(93)68(53(43-82)104-72)107-74-65(96)63(94)60(91)55(106-74)46-102-77(76(99)100)40-50(86)58(89)71(110-77)59(90)51(87)41-80/h36,38,48-55,57-75,80-83,85-87,89-98H,4-35,37,39-46H2,1-3H3,(H,78,84)(H,79,88)(H,99,100)/b38-36+/t48-,49+,50?,51+,52?,53?,54?,55?,57?,58+,59+,60-,61-,62+,63-,64+,65?,66?,67?,68+,69+,70-,71?,72-,73+,74-,75-,77+/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](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@]5(C(=O)O)CC(O)[C@@H](O)C([C@H](O)[C@H](O)CO)O5)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph