GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM24798 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H163N5O46 charge 0 mass 2086.05692 reference lipidmapsM:LMSP0601GP01 InChIKey RSUQIOOFYOLZRY-CLLKDAGQSA-N InChI InChI=1S/C93H163N5O46/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(110)49(98-60(113)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)43-129-88-74(123)73(122)79(58(42-105)136-88)139-90-76(125)83(142-89-75(124)82(68(117)55(39-102)133-89)141-87-64(97-48(6)109)80(67(116)54(38-101)132-87)140-86-62(95-46(4)107)71(120)66(115)53(37-100)131-86)70(119)59(137-90)44-130-85-63(96-47(5)108)72(121)78(57(41-104)135-85)138-91-77(126)84(69(118)56(40-103)134-91)144-93(92(127)128)35-51(111)61(94-45(3)106)81(143-93)65(114)52(112)36-99/h31,33,49-59,61-91,99-105,110-112,114-126H,7-30,32,34-44H2,1-6H3,(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H,98,113)(H,127,128)/b33-31+/t49-,50+,51?,52+,53?,54?,55?,56?,57?,58?,59?,61+,62?,63?,64?,65+,66-,67-,68-,69-,70-,71+,72+,73+,74?,75?,76?,77?,78+,79+,80+,81?,82-,83-,84-,85+,86+,87-,88+,89+,90-,91-,93-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph