GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25508 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C79H140N4O36 charge 0 mass 1720.92473 reference lipidmapsM:LMSP0601DP01 InChIKey FMTRWLHZRRYQLM-UPNVTYFXSA-N InChI InChI=1S/C79H140N4O36/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-46(93)45(83-54(96)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)41-108-75-64(103)63(102)67(52(39-88)112-75)114-76-65(104)71(61(100)51(38-87)111-76)117-74-57(82-44(5)92)69(60(99)50(37-86)110-74)116-77-66(105)72(68(53(40-89)113-77)115-73-56(81-43(4)91)62(101)59(98)49(36-85)109-73)119-79(78(106)107)34-47(94)55(80-42(3)90)70(118-79)58(97)48(95)35-84/h30,32,45-53,55-77,84-89,93-95,97-105H,6-29,31,33-41H2,1-5H3,(H,80,90)(H,81,91)(H,82,92)(H,83,96)(H,106,107)/b32-30+/t45-,46+,47?,48+,49?,50?,51?,52?,53?,55+,56?,57?,58+,59-,60+,61-,62+,63+,64?,65?,66?,67+,68-,69+,70?,71-,72+,73-,74-,75+,76-,77-,79-/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](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)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph