GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0)

Properties Image Occurences in reactions MNX_ID MNXM23101 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C120H212N6O57 charge 0 mass 2649.38748 reference lipidmapsM:LMSP0504BN06 InChIKey WFDBUFDREJRCSH-PYDKKBCHSA-N InChI InChI=1S/C120H212N6O57/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-76(142)126-64(65(141)45-43-41-39-37-35-33-22-20-18-16-14-12-10-2)56-162-115-97(158)95(156)101(74(55-135)173-115)175-117-98(159)106(89(150)71(52-132)170-117)180-113-80(124-62(7)139)103(86(147)69(50-130)168-113)177-119-100(161)107(91(152)75(174-119)57-163-110-79(123-61(6)138)102(85(146)68(49-129)165-110)176-118-99(160)105(88(149)72(53-133)171-118)179-111-77(121-59(4)136)92(153)83(144)66(47-127)166-111)181-114-81(125-63(8)140)104(87(148)70(51-131)169-114)178-120-109(183-116-96(157)94(155)82(143)58(3)164-116)108(90(151)73(54-134)172-120)182-112-78(122-60(5)137)93(154)84(145)67(48-128)167-112/h43,45,58,64-75,77-120,127-135,141,143-161H,9-42,44,46-57H2,1-8H3,(H,121,136)(H,122,137)(H,123,138)(H,124,139)(H,125,140)(H,126,142)/b45-43+/t58?,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-,120-/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](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[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph