NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM27805 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C88H156N4O39 charge 0 mass 1893.03467 reference lipidmapsM:LMSP0601EG04 InChIKey HRMHQOGUHGAQTF-YOHXTACDSA-N InChI InChI=1S/C88H156N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-62(106)92-52(53(102)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)48-120-82-72(113)71(112)76(61(47-98)124-82)126-83-73(114)79(67(108)57(43-94)121-83)127-81-65(91-51(5)101)70(111)75(60(46-97)123-81)125-84-74(115)80(68(109)58(44-95)122-84)131-88(86(118)119)41-55(104)64(90-50(4)100)78(130-88)69(110)59(45-96)128-87(85(116)117)40-54(103)63(89-49(3)99)77(129-87)66(107)56(105)42-93/h36,38,52-61,63-84,93-98,102-105,107-115H,6-35,37,39-48H2,1-5H3,(H,89,99)(H,90,100)(H,91,101)(H,92,106)(H,116,117)(H,118,119)/b38-36+/t52-,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-,87+,88-/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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)O5)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph