sialyl dimeric Lex(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM30000 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C97H170N4O49 charge 0 mass 2175.09337 reference lipidmapsM:LMSP0601EW01 InChIKey PUEVQJNSQJKFMQ-ACRMAUATSA-N InChI InChI=1S/C97H170N4O49/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-51(112)50(101-60(115)35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)44-133-90-75(127)72(124)79(57(41-106)141-90)142-93-76(128)85(67(119)54(38-103)136-93)147-88-62(99-48(6)110)83(145-91-73(125)70(122)64(116)45(3)134-91)80(58(42-107)139-88)143-94-77(129)86(68(120)55(39-104)137-94)148-89-63(100-49(7)111)84(146-92-74(126)71(123)65(117)46(4)135-92)81(59(43-108)140-89)144-95-78(130)87(69(121)56(40-105)138-95)150-97(96(131)132)36-52(113)61(98-47(5)109)82(149-97)66(118)53(114)37-102/h32,34,45-46,50-59,61-95,102-108,112-114,116-130H,8-31,33,35-44H2,1-7H3,(H,98,109)(H,99,110)(H,100,111)(H,101,115)(H,131,132)/b34-32+/t45?,46?,50-,51+,52?,53+,54?,55?,56?,57?,58?,59?,61+,62?,63?,64+,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+,91+,92+,93-,94-,95-,97-/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@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)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)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph