X3 ganglioside(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25500 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C111H193N5O59 charge 0 mass 2540.22556 reference lipidmapsM:LMSP0601FU01 InChIKey WILCXQLXSIUFNS-RSLXXNOWSA-N InChI InChI=1S/C111H193N5O59/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-55(130)54(116-66(133)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)47-154-103-84(147)81(144)90(63(44-123)164-103)166-107-85(148)96(74(137)58(39-118)158-107)171-100-68(113-51(6)127)78(141)89(62(43-122)161-100)165-106-86(149)97(75(138)59(40-119)157-106)172-101-69(114-52(7)128)94(169-104-82(145)79(142)71(134)48(3)155-104)91(64(45-124)162-101)167-108-87(150)98(76(139)60(41-120)159-108)173-102-70(115-53(8)129)95(170-105-83(146)80(143)72(135)49(4)156-105)92(65(46-125)163-102)168-109-88(151)99(77(140)61(42-121)160-109)175-111(110(152)153)37-56(131)67(112-50(5)126)93(174-111)73(136)57(132)38-117/h33,35,48-49,54-65,67-109,117-125,130-132,134-151H,9-32,34,36-47H2,1-8H3,(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,133)(H,152,153)/b35-33+/t48?,49?,54-,55+,56?,57+,58?,59?,60?,61?,62?,63?,64?,65?,67+,68?,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-,111-/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[C@]9(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O9)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)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph