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

Properties Image Occurences in reactions MNX_ID MNXM26004 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C93H164N4O45 charge 0 mass 2057.06676 reference lipidmapsM:LMSP0601EM02 InChIKey PALYISXKVMQCEQ-HSTBVEJJSA-N InChI InChI=1S/C93H164N4O45/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-60(111)97-50(51(108)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)45-127-87-73(121)71(119)78(58(43-103)134-87)136-90-74(122)82(66(114)54(39-99)130-90)139-85-62(95-48(5)106)69(117)77(57(42-102)132-85)135-89-75(123)83(67(115)55(40-100)129-89)140-86-63(96-49(6)107)81(79(59(44-104)133-86)137-88-72(120)70(118)64(112)46(3)128-88)138-91-76(124)84(68(116)56(41-101)131-91)142-93(92(125)126)37-52(109)61(94-47(4)105)80(141-93)65(113)53(110)38-98/h33,35,46,50-59,61-91,98-104,108-110,112-124H,7-32,34,36-45H2,1-6H3,(H,94,105)(H,95,106)(H,96,107)(H,97,111)(H,125,126)/b35-33+/t46?,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](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph