Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM25210 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C102H180N4O47 charge 0 mass 2213.18179 reference lipidmapsM:LMSP0505AW07 InChIKey QFFJYIURPHPRRS-KCGJOKQZSA-N InChI InChI=1S/C102H180N4O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-66(119)106-56(57(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)51-136-97-83(133)80(130)88(65(50-114)145-97)147-101-85(135)91(74(124)61(46-110)141-101)151-94-67(103-53(4)115)76(126)86(63(48-112)143-94)146-100-84(134)90(73(123)60(45-109)140-100)150-95-68(104-54(5)116)77(127)87(64(49-113)144-95)148-102-93(153-98-81(131)78(128)70(120)52(3)137-98)92(75(125)62(47-111)142-102)152-96-69(105-55(6)117)89(72(122)59(44-108)138-96)149-99-82(132)79(129)71(121)58(43-107)139-99/h21-22,39,41,52,56-65,67-102,107-114,118,120-135H,7-20,23-38,40,42-51H2,1-6H3,(H,103,115)(H,104,116)(H,105,117)(H,106,119)/b22-21-,41-39+/t52?,56-,57+,58?,59?,60?,61?,62?,63?,64?,65?,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-,92-,93?,94-,95-,96+,97+,98+,99-,100-,101-,102-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O[C@@H]8OC(CO)[C@H](O)[C@H](O)C8O)C7NC(C)=O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph