NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM27441 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C109H191N5O51 charge 0 mass 2386.2506 reference lipidmapsM:LMSP0601FK08 InChIKey RWVJOUODDKLRLO-VYLLOVSMSA-N InChI InChI=1S/C109H191N5O51/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(131)114-60(61(128)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-148-103-86(141)85(140)94(71(54-123)156-103)160-106-89(144)98(80(135)66(49-118)151-106)163-101-75(112-58(5)126)83(138)92(69(52-121)154-101)158-104-87(142)96(78(133)64(47-116)149-104)161-100-74(111-57(4)125)82(137)91(68(51-120)153-100)157-105-88(143)97(79(134)65(48-117)150-105)162-102-76(113-59(6)127)84(139)93(70(53-122)155-102)159-107-90(145)99(81(136)67(50-119)152-107)165-109(108(146)147)45-62(129)73(110-56(3)124)95(164-109)77(132)63(130)46-115/h21-22,41,43,60-71,73-107,115-123,128-130,132-145H,7-20,23-40,42,44-55H2,1-6H3,(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,114,131)(H,146,147)/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-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,109-/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](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@H](O)[C@H](O[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph