Fuc-GD1b(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM25180 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C94H166N4O43 charge 0 mass 2039.09258 reference lipidmapsM:LMSP0601BI04 InChIKey FGDCEDCSYKQXKE-DNRCSXGYSA-N InChI InChI=1S/C94H166N4O43/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-64(112)98-54(55(108)39-37-35-33-31-29-27-20-18-16-14-12-10-8-2)49-128-87-77(122)75(120)79(62(47-103)132-87)134-89-78(123)84(141-94(92(126)127)42-57(110)66(96-52(5)106)83(140-94)72(117)61(46-102)138-93(91(124)125)41-56(109)65(95-51(4)105)82(139-93)69(114)58(111)43-99)80(63(48-104)133-89)135-86-67(97-53(6)107)81(71(116)60(45-101)130-86)136-90-85(74(119)70(115)59(44-100)131-90)137-88-76(121)73(118)68(113)50(3)129-88/h37,39,50,54-63,65-90,99-104,108-111,113-123H,7-36,38,40-49H2,1-6H3,(H,95,105)(H,96,106)(H,97,107)(H,98,112)(H,124,125)(H,126,127)/b39-37+/t50?,54-,55+,56?,57?,58+,59?,60?,61+,62?,63?,65+,66+,67?,68+,69+,70-,71-,72+,73?,74-,75+,76-,77?,78?,79+,80-,81+,82?,83?,84+,85?,86-,87+,88+,89-,90-,93+,94-/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]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)C3NC(C)=O)[C@H](O[C@]3(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O4)O3)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph