NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM27835 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C99H173N5O51 charge 0 mass 2248.10975 reference lipidmapsM:LMSP0601FK01 InChIKey ILQGXHMPZZFSQN-LMFNBZOBSA-N InChI InChI=1S/C99H173N5O51/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51(118)50(104-62(121)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)45-138-93-76(131)75(130)84(61(44-113)146-93)150-96-79(134)88(70(125)56(39-108)141-96)153-91-65(102-48(5)116)73(128)82(59(42-111)144-91)148-94-77(132)86(68(123)54(37-106)139-94)151-90-64(101-47(4)115)72(127)81(58(41-110)143-90)147-95-78(133)87(69(124)55(38-107)140-95)152-92-66(103-49(6)117)74(129)83(60(43-112)145-92)149-97-80(135)89(71(126)57(40-109)142-97)155-99(98(136)137)35-52(119)63(100-46(3)114)85(154-99)67(122)53(120)36-105/h31,33,50-61,63-97,105-113,118-120,122-135H,7-30,32,34-45H2,1-6H3,(H,100,114)(H,101,115)(H,102,116)(H,103,117)(H,104,121)(H,136,137)/b33-31+/t50-,51+,52?,53+,54?,55?,56?,57?,58?,59?,60?,61?,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-,96-,97-,99-/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)C7NC(C)=O)C6O)[C@H](O)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