NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM23309 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C113H199N5O56 charge 0 mass 2522.28777 reference lipidmapsM:LMSP0601FR05 InChIKey VLEVVKWPUIPYNB-HBNIIHBRSA-N InChI InChI=1S/C113H199N5O56/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-72(135)118-59(60(132)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-155-106-89(148)87(146)97(70(52-127)164-106)169-109-90(149)99(79(138)64(46-121)159-109)170-104-75(116-57(5)130)84(143)95(68(50-125)162-104)167-110-92(151)101(82(141)71(165-110)54-156-103-74(115-56(4)129)83(142)94(67(49-124)161-103)166-108-91(150)100(80(139)65(47-122)158-108)172-107-88(147)86(145)78(137)63(45-120)157-107)171-105-76(117-58(6)131)85(144)96(69(51-126)163-105)168-111-93(152)102(81(140)66(48-123)160-111)174-113(112(153)154)43-61(133)73(114-55(3)128)98(173-113)77(136)62(134)44-119/h39,41,59-71,73-111,119-127,132-134,136-152H,7-38,40,42-54H2,1-6H3,(H,114,128)(H,115,129)(H,116,130)(H,117,131)(H,118,135)(H,153,154)/b41-39+/t59-,60+,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-,113-/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](O)C7O)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)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph