Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25312 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C100H176N4O51 charge 0 mass 2249.13015 reference lipidmapsM:LMSP0505AX01 InChIKey UBSSGUDBPMDOCP-DSUNCVLKSA-N InChI InChI=1S/C100H176N4O51/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-51(116)50(104-60(117)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)44-136-94-79(133)76(130)84(59(43-112)146-94)148-98-81(135)87(69(123)55(39-108)141-98)152-91-61(101-47(5)113)71(125)82(57(41-110)144-91)147-97-80(134)86(68(122)54(38-107)140-97)151-92-62(102-48(6)114)72(126)83(58(42-111)145-92)149-100-90(155-96-78(132)74(128)65(119)46(4)138-96)88(70(124)56(40-109)143-100)153-93-63(103-49(7)115)85(67(121)53(37-106)139-93)150-99-89(75(129)66(120)52(36-105)142-99)154-95-77(131)73(127)64(118)45(3)137-95/h32,34,45-46,50-59,61-100,105-112,116,118-135H,8-31,33,35-44H2,1-7H3,(H,101,113)(H,102,114)(H,103,115)(H,104,117)/b34-32+/t45?,46?,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-,92-,93+,94+,95+,96+,97-,98-,99-,100-/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(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[C@H]8OC(C)[C@@H](O)C(O)[C@@H]8O)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)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph