NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galx1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6}Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM25004 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C113H197N5O55 charge 0 mass 2504.27721 reference lipidmapsM:LMSP0601FC07 InChIKey UPEZELNECCZIJA-WTIHVXLHSA-N InChI InChI=1S/C113H197N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-72(134)118-60(61(131)42-40-38-36-34-32-30-21-19-17-15-13-11-9-2)53-154-106-91(149)88(146)97(70(52-126)163-106)167-109-92(150)99(80(138)64(46-120)157-109)169-104-75(116-58(6)129)84(142)94(68(50-124)161-104)165-108-90(148)87(145)79(137)71(164-108)54-155-103-74(115-57(5)128)83(141)96(67(49-123)160-103)168-111-102(171-107-89(147)86(144)77(135)55(3)156-107)101(82(140)66(48-122)159-111)170-105-76(117-59(7)130)85(143)95(69(51-125)162-105)166-110-93(151)100(81(139)65(47-121)158-110)173-113(112(152)153)44-62(132)73(114-56(4)127)98(172-113)78(136)63(133)45-119/h22-23,40,42,55,60-71,73-111,119-126,131-133,135-151H,8-21,24-39,41,43-54H2,1-7H3,(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,134)(H,152,153)/b23-22-,42-40+/t55?,60-,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+,108-,109-,110-,111-,113-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=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]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]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](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