trimeric Lex(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM23025 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H198N4O55 charge 0 mass 2479.28196 reference lipidmapsM:LMSP0505BB04 InChIKey IARMJBYSEWKIOR-IRTFWJTGSA-N InChI InChI=1S/C112H198N4O55/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-68(129)116-58(59(128)41-39-37-35-33-31-29-22-20-18-16-14-12-10-2)51-150-105-88(146)83(141)92(64(47-121)161-105)162-110-89(147)99(76(134)61(44-118)155-110)169-103-70(114-56(7)126)97(167-107-85(143)80(138)73(131)53(4)152-107)94(66(49-123)159-103)164-112-91(149)101(78(136)63(46-120)157-112)171-104-71(115-57(8)127)98(168-108-86(144)81(139)74(132)54(5)153-108)95(67(50-124)160-104)165-111-90(148)100(77(135)62(45-119)156-111)170-102-69(113-55(6)125)96(166-106-84(142)79(137)72(130)52(3)151-106)93(65(48-122)158-102)163-109-87(145)82(140)75(133)60(43-117)154-109/h39,41,52-54,58-67,69-112,117-124,128,130-149H,9-38,40,42-51H2,1-8H3,(H,113,125)(H,114,126)(H,115,127)(H,116,129)/b41-39+/t52?,53?,54?,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+,107+,108+,109-,110-,111-,112-/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](O)[C@H](O[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]8OC(CO)[C@H](O)[C@H](O)C8O)[C@H](O[C@H]8OC(C)[C@@H](O)C(O)[C@@H]8O)C7NC(C)=O)C6O)[C@H](O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)[C@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph