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

Properties Image Occurences in reactions MNX_ID MNXM28580 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H197N5O52 charge 0 mass 2444.29246 reference lipidmapsM:LMSP0504BG08 InChIKey HNJLVVXQRSWHBJ-VTFVZRHCSA-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)54-150-107-92(147)89(144)95(70(53-125)160-107)162-110-93(148)99(83(138)68(51-123)158-110)166-105-75(115-59(6)128)97(81(136)66(49-121)155-105)164-111-94(149)100(85(140)71(161-111)55-151-103-74(114-58(5)127)96(80(135)65(48-120)153-103)163-109-91(146)88(143)79(134)64(47-119)157-109)167-106-76(116-60(7)129)98(82(137)67(50-122)156-106)165-112-102(169-108-90(145)87(142)77(132)56(3)152-108)101(84(139)69(52-124)159-112)168-104-73(113-57(4)126)86(141)78(133)63(46-118)154-104/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](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)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[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)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