NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-8NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM28077 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C103H179N5O47 charge 0 mass 2238.17704 reference lipidmapsM:LMSP0601CS08 InChIKey NDBRUMCYAJFZPW-LOFMNVJHSA-N InChI InChI=1S/C103H179N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(125)108-60(61(119)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)54-142-95-84(133)82(131)88(69(52-113)145-95)149-96-85(134)83(132)87(70(53-114)146-96)148-94-76(107-59(6)118)89(150-97-86(135)93(79(128)67(50-111)144-97)155-103(100(140)141)47-64(122)74(105-57(4)116)91(154-103)78(127)66(124)49-110)81(130)71(147-94)55-143-101(98(136)137)45-62(120)75(106-58(5)117)92(152-101)80(129)68(51-112)151-102(99(138)139)46-63(121)73(104-56(3)115)90(153-102)77(126)65(123)48-109/h21-22,41,43,60-71,73-97,109-114,119-124,126-135H,7-20,23-40,42,44-55H2,1-6H3,(H,104,115)(H,105,116)(H,106,117)(H,107,118)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b22-21-,43-41+/t60-,61+,62?,63?,64?,65+,66+,67?,68+,69?,70?,71?,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-,101+,102+,103-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O[C@@H]3OC(CO[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)O4)[C@H](O)[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](O)CO)O5)C4O)C3NC(C)=O)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph