NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM29603 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H177N5O47 charge 0 mass 2212.16139 reference lipidmapsM:LMSP0601ET05 InChIKey CZCJWTHCRYQZQL-RHLVISKJSA-N InChI InChI=1S/C101H177N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(123)106-58(59(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-140-93-82(131)81(130)86(69(52-113)144-93)146-94-83(132)90(76(125)64(47-108)141-94)147-92-74(105-57(6)117)80(129)85(68(51-112)143-92)145-95-84(133)91(77(126)65(48-109)142-95)153-101(98(138)139)45-62(121)73(104-56(5)116)89(152-101)79(128)67(50-111)149-100(97(136)137)44-61(120)72(103-55(4)115)88(151-100)78(127)66(49-110)148-99(96(134)135)43-60(119)71(102-54(3)114)87(150-99)75(124)63(122)46-107/h39,41,58-69,71-95,107-113,118-122,124-133H,7-38,40,42-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,117)(H,106,123)(H,134,135)(H,136,137)(H,138,139)/b41-39+/t58-,59+,60?,61?,62?,63+,64?,65?,66+,67+,68?,69?,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-,99+,100+,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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)O6)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph