NeuAcalpha2-3(GalNAcbeta1-4)Galbeta1-4GlcNAcbeta1-6(GalNAcbeta1-3Galalpha1-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0)

Properties Image Occurences in reactions MNX_ID MNXM28251 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C101H179N5O46 charge 0 mass 2198.18212 reference lipidmapsM:LMSP0601GX05 InChIKey PVCGTOBZXGMEKI-WVQPVQFZSA-N InChI InChI=1S/C101H179N5O46/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-68(121)106-57(58(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)51-137-96-82(131)81(130)87(65(49-112)143-96)147-98-84(133)91(150-97-83(132)90(76(125)63(47-110)141-97)149-95-71(104-55(5)116)79(128)75(124)62(46-109)140-95)77(126)67(145-98)52-138-93-72(105-56(6)117)80(129)86(64(48-111)142-93)146-99-85(134)92(88(66(50-113)144-99)148-94-70(103-54(4)115)78(127)74(123)61(45-108)139-94)152-101(100(135)136)43-59(119)69(102-53(3)114)89(151-101)73(122)60(120)44-107/h39,41,57-67,69-99,107-113,118-120,122-134H,7-38,40,42-52H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,117)(H,106,121)(H,135,136)/b41-39+/t57-,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-,101-/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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O[C@@H]5OC(CO)[C@H](O)[C@H](O)C5NC(C)=O)[C@H](O[C@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O5)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph