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

Properties Image Occurences in reactions MNX_ID MNXM25994 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H177N5O51 charge 0 mass 2276.14105 reference lipidmapsM:LMSP0601GT02 InChIKey SWNOSTIWNCTQDS-KMLJLJTHSA-N InChI InChI=1S/C101H177N5O51/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(122)106-52(53(119)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)46-140-95-80(134)78(132)87(62(45-114)148-95)153-99-83(137)91(73(127)58(41-110)144-99)156-94-68(105-51(6)118)76(130)86(61(44-113)147-94)152-98-82(136)90(72(126)57(40-109)143-98)155-93-67(104-50(5)117)75(129)85(60(43-112)146-93)151-97-81(135)89(71(125)56(39-108)142-97)154-92-66(103-49(4)116)74(128)84(59(42-111)145-92)150-96-79(133)77(131)70(124)63(149-96)47-141-101(100(138)139)37-54(120)65(102-48(3)115)88(157-101)69(123)55(121)38-107/h33,35,52-63,65-99,107-114,119-121,123-137H,7-32,34,36-47H2,1-6H3,(H,102,115)(H,103,116)(H,104,117)(H,105,118)(H,106,122)(H,138,139)/b35-33+/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](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]8OC(CO[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)[C@H](O)[C@H](O)C8O)[C@H](O)C7NC(C)=O)C6O)[C@H](O)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