NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))

Properties Image Occurences in reactions MNX_ID MNXM24161 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C121H211N5O60 charge 0 mass 2694.36133 reference lipidmapsM:LMSP0601FZ08 InChIKey YMVMPOXVXUPYEP-NWQFQZQRSA-N InChI InChI=1S/C121H211N5O60/c1-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-76(143)126-63(64(140)44-42-40-38-36-34-32-21-19-17-15-13-11-9-2)56-165-113-96(159)93(156)103(74(55-135)175-113)179-116-97(160)105(84(147)68(49-129)169-116)181-111-79(124-61(6)138)89(152)100(72(53-133)173-111)177-117-98(161)106(182-112-80(125-62(7)139)90(153)101(73(54-134)174-112)178-118-99(162)107(85(148)69(50-130)170-118)186-121(120(163)164)46-65(141)77(122-59(4)136)104(185-121)82(145)66(142)47-127)87(150)75(176-117)57-166-110-78(123-60(5)137)88(151)102(71(52-132)172-110)180-119-109(184-114-94(157)91(154)81(144)58(3)167-114)108(86(149)70(51-131)171-119)183-115-95(158)92(155)83(146)67(48-128)168-115/h22-23,42,44,58,63-75,77-119,127-135,140-142,144-162H,8-21,24-41,43,45-57H2,1-7H3,(H,122,136)(H,123,137)(H,124,138)(H,125,139)(H,126,143)(H,163,164)/b23-22-,44-42+/t58?,63-,64+,65?,66+,67?,68?,69?,70?,71?,72?,73?,74?,75?,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+,115-,116-,117-,118-,119-,121-/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[C@@H]7OC(CO)[C@H](O)[C@H](O)C7O)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@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)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