GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM25719 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H197N5O52 charge 0 mass 2444.29246 reference lipidmapsM:LMSP0505EF08 InChIKey KAXGGPOFOIAFNX-AWHXMIRYSA-N InChI InChI=1S/C112H197N5O52/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-72(131)117-61(62(130)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)54-150-107-91(146)89(144)98(70(53-125)160-107)164-110-93(148)100(81(136)66(49-121)155-110)167-105-75(115-59(6)128)86(141)96(69(52-124)158-105)163-111-94(149)101(168-106-76(116-60(7)129)85(140)95(68(51-123)159-106)162-109-92(147)99(80(135)65(48-120)154-109)166-104-73(113-57(4)126)83(138)78(133)63(46-118)153-104)82(137)71(161-111)55-151-103-74(114-58(5)127)84(139)97(67(50-122)157-103)165-112-102(88(143)79(134)64(47-119)156-112)169-108-90(145)87(142)77(132)56(3)152-108/h22-23,42,44,56,61-71,73-112,118-125,130,132-149H,8-21,24-41,43,45-55H2,1-7H3,(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,131)/b23-22-,44-42+/t56?,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-,112-/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]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](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[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](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