GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM29665 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C111H194N6O51 charge 0 mass 2427.27715 reference lipidmapsM:LMSP0601GO08 InChIKey CKMUXKCXPTZIPC-JVNKAGSXSA-N InChI InChI=1S/C111H194N6O51/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-74(134)117-62(63(131)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)55-151-106-90(145)89(144)95(71(53-124)158-106)162-108-92(147)100(166-107-91(146)99(84(139)69(51-122)156-107)165-105-79(116-61(7)130)97(83(138)68(50-121)155-105)164-104-77(114-59(5)128)87(142)82(137)67(49-120)154-104)85(140)73(160-108)56-152-102-78(115-60(6)129)88(143)94(70(52-123)157-102)161-109-93(148)101(96(72(54-125)159-109)163-103-76(113-58(4)127)86(141)81(136)66(48-119)153-103)168-111(110(149)150)46-64(132)75(112-57(3)126)98(167-111)80(135)65(133)47-118/h22-23,42,44,62-73,75-109,118-125,131-133,135-148H,8-21,24-41,43,45-56H2,1-7H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,130)(H,117,134)(H,149,150)/b23-22-,44-42+/t62-,63+,64?,65+,66?,67?,68?,69?,70?,71?,72?,73?,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-,111-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=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)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O[C@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph