GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM24633 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C87H154N4O36 charge 0 mass 1831.03428 reference lipidmapsM:LMSP0601DP07 InChIKey OFTDAHKIOYQKPU-QOLKMMJKSA-N InChI InChI=1S/C87H154N4O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-62(104)91-53(54(101)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)49-116-83-72(111)71(110)75(60(47-96)120-83)122-84-73(112)79(69(108)59(46-95)119-84)125-82-65(90-52(5)100)77(68(107)58(45-94)118-82)124-85-74(113)80(76(61(48-97)121-85)123-81-64(89-51(4)99)70(109)67(106)57(44-93)117-81)127-87(86(114)115)42-55(102)63(88-50(3)98)78(126-87)66(105)56(103)43-92/h20-21,38,40,53-61,63-85,92-97,101-103,105-113H,6-19,22-37,39,41-49H2,1-5H3,(H,88,98)(H,89,99)(H,90,100)(H,91,104)(H,114,115)/b21-20-,40-38+/t53-,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-,87-/m0/s1 SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph