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

Properties Image Occurences in reactions MNX_ID MNXM27604 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C114H200N6O53 charge 0 mass 2501.31393 reference lipidmapsM:LMSP0504BK08 InChIKey KKQMDTDEHMMSJQ-TZNREHNTSA-N InChI InChI=1S/C114H200N6O53/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(136)120-62(63(135)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)55-154-110-92(149)91(148)97(72(54-129)164-110)166-111-93(150)103(87(144)69(51-126)161-111)172-108-79(119-61(7)134)100(84(141)68(50-125)159-108)169-114-96(153)104(173-109-78(118-60(6)133)99(83(140)67(49-124)160-109)168-113-95(152)102(86(143)71(53-128)163-113)171-107-76(116-58(4)131)90(147)81(138)65(47-122)158-107)88(145)73(165-114)56-155-105-77(117-59(5)132)98(82(139)66(48-123)156-105)167-112-94(151)101(85(142)70(52-127)162-112)170-106-75(115-57(3)130)89(146)80(137)64(46-121)157-106/h22-23,42,44,62-73,75-114,121-129,135,137-153H,8-21,24-41,43,45-56H2,1-7H3,(H,115,130)(H,116,131)(H,117,132)(H,118,133)(H,119,134)(H,120,136)/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-,110+,111-,112-,113-,114-/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](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph