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

Properties Image Occurences in reactions MNX_ID MNXM24481 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C115H201N5O56 charge 0 mass 2548.30342 reference lipidmapsM:LMSP0601FR08 InChIKey IJGSUCRASKJNPM-LDMMPCFOSA-N InChI InChI=1S/C115H201N5O56/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-74(137)120-61(62(134)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-157-108-91(150)89(148)99(72(54-129)166-108)171-111-92(151)101(81(140)66(48-123)161-111)172-106-77(118-59(5)132)86(145)97(70(52-127)164-106)169-112-94(153)103(84(143)73(167-112)56-158-105-76(117-58(4)131)85(144)96(69(51-126)163-105)168-110-93(152)102(82(141)67(49-124)160-110)174-109-90(149)88(147)80(139)65(47-122)159-109)173-107-78(119-60(6)133)87(146)98(71(53-128)165-107)170-113-95(154)104(83(142)68(50-125)162-113)176-115(114(155)156)45-63(135)75(116-57(3)130)100(175-115)79(138)64(136)46-121/h21-22,41,43,61-73,75-113,121-129,134-136,138-154H,7-20,23-40,42,44-56H2,1-6H3,(H,116,130)(H,117,131)(H,118,132)(H,119,133)(H,120,137)(H,155,156)/b22-21-,43-41+/t61-,62+,63?,64+,65?,66?,67?,68?,69?,70?,71?,72?,73?,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-,112-,113-,115-/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](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