NeuAcalpha2-3Galbeta1-4GlcNAcalpha1-3(NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM1107036 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H190N6O59 charge 0 mass 2539.20516 reference lipidmapsM:LMSP0601FQ01 InChIKey BKVJEVRLKKVCOJ-MPGHZXLISA-N InChI InChI=1S/C110H190N6O59/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-55(131)54(116-68(136)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)47-156-102-84(147)83(146)92(66(46-125)164-102)169-103-85(148)95(76(139)60(40-119)158-103)170-100-72(114-52(6)129)81(144)90(64(44-123)162-100)166-104-86(149)96(171-101-73(115-53(7)130)82(145)91(65(45-124)163-101)168-106-88(151)98(78(141)62(42-121)160-106)175-110(108(154)155)37-57(133)70(112-50(4)127)94(173-110)75(138)59(135)39-118)79(142)67(165-104)48-157-99-71(113-51(5)128)80(143)89(63(43-122)161-99)167-105-87(150)97(77(140)61(41-120)159-105)174-109(107(152)153)36-56(132)69(111-49(3)126)93(172-109)74(137)58(134)38-117/h32,34,54-67,69-106,117-125,131-135,137-151H,8-31,33,35-48H2,1-7H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,136)(H,152,153)(H,154,155)/b34-32+/t54-,55+,56?,57?,58+,59+,60?,61?,62?,63?,64?,65?,66?,67?,69+,70+,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-,109-,110-/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@]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)[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)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph