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

Properties Image Occurences in reactions MNX_ID MNXM29114 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H163N5O46 charge 0 mass 2086.05692 reference lipidmapsM:LMSP0601DR01 InChIKey LQRGMCBEUIKPLG-GLHBCPHPSA-N InChI InChI=1S/C93H163N5O46/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(111)49(98-60(114)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44-129-88-74(124)72(122)77(57(41-104)134-88)137-90-75(125)83(78(58(42-105)135-90)138-86-63(96-47(5)109)80(68(118)55(39-102)131-86)140-89-73(123)71(121)67(117)54(38-101)133-89)142-87-64(97-48(6)110)81(69(119)56(40-103)132-87)141-91-76(126)84(79(59(43-106)136-91)139-85-62(95-46(4)108)70(120)66(116)53(37-100)130-85)144-93(92(127)128)35-51(112)61(94-45(3)107)82(143-93)65(115)52(113)36-99/h31,33,49-59,61-91,99-106,111-113,115-126H,7-30,32,34-44H2,1-6H3,(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H,98,114)(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](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)C3NC(C)=O)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=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)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph