NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galx1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6}Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM22915 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C111H195N5O55 charge 0 mass 2478.26156 reference lipidmapsM:LMSP0601FC04 InChIKey APXGYCZUSWZOLG-CYTUFVSISA-N InChI InChI=1S/C111H195N5O55/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-70(132)116-58(59(129)40-38-36-34-32-30-28-21-19-17-15-13-11-9-2)51-152-104-89(147)86(144)95(68(50-124)161-104)165-107-90(148)97(78(136)62(44-118)155-107)167-102-73(114-56(6)127)82(140)92(66(48-122)159-102)163-106-88(146)85(143)77(135)69(162-106)52-153-101-72(113-55(5)126)81(139)94(65(47-121)158-101)166-109-100(169-105-87(145)84(142)75(133)53(3)154-105)99(80(138)64(46-120)157-109)168-103-74(115-57(7)128)83(141)93(67(49-123)160-103)164-108-91(149)98(79(137)63(45-119)156-108)171-111(110(150)151)42-60(130)71(112-54(4)125)96(170-111)76(134)61(131)43-117/h38,40,53,58-69,71-109,117-124,129-131,133-149H,8-37,39,41-52H2,1-7H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,132)(H,150,151)/b40-38+/t53?,58-,59+,60?,61+,62?,63?,64?,65?,66?,67?,68?,69?,71+,72?,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-,111-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[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)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph