NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(Fucalpha1-3GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM27900 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O44 charge 0 mass 2041.07184 reference lipidmapsM:LMSP0601DX02 InChIKey PAVOIFYGRLCGKY-FFCUGLCCSA-N InChI InChI=1S/C93H164N4O44/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-60(109)97-51(52(106)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)44-126-87-75(121)72(118)78(57(42-101)133-87)135-90-76(122)83(69(115)59(134-90)45-127-85-62(95-49(6)104)80(67(113)55(40-99)130-85)137-89-74(120)71(117)65(111)47(4)129-89)139-86-63(96-50(7)105)82(79(58(43-102)132-86)136-88-73(119)70(116)64(110)46(3)128-88)138-91-77(123)84(68(114)56(41-100)131-91)141-93(92(124)125)38-53(107)61(94-48(5)103)81(140-93)66(112)54(108)39-98/h34,36,46-47,51-59,61-91,98-102,106-108,110-123H,8-33,35,37-45H2,1-7H3,(H,94,103)(H,95,104)(H,96,105)(H,97,109)(H,124,125)/b36-34+/t46?,47?,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](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[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)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph