GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM28610 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H176N6O51 charge 0 mass 2289.1363 reference lipidmapsM:LMSP0601GO01 InChIKey BNUTXBSHJVXBEJ-KPHKQUJHSA-N InChI InChI=1S/C101H176N6O51/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-53(121)52(107-64(124)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)45-141-96-80(135)79(134)85(61(43-114)148-96)152-98-82(137)90(156-97-81(136)89(74(129)59(41-112)146-97)155-95-69(106-51(7)120)87(73(128)58(40-111)145-95)154-94-67(104-49(5)118)77(132)72(127)57(39-110)144-94)75(130)63(150-98)46-142-92-68(105-50(6)119)78(133)84(60(42-113)147-92)151-99-83(138)91(86(62(44-115)149-99)153-93-66(103-48(4)117)76(131)71(126)56(38-109)143-93)158-101(100(139)140)36-54(122)65(102-47(3)116)88(157-101)70(125)55(123)37-108/h32,34,52-63,65-99,108-115,121-123,125-138H,8-31,33,35-46H2,1-7H3,(H,102,116)(H,103,117)(H,104,118)(H,105,119)(H,106,120)(H,107,124)(H,139,140)/b34-32+/t52-,53+,54?,55+,56?,57?,58?,59?,60?,61?,62?,63?,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-,101-/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]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)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph