NeuAcalpha2-3Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM22879 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O45 charge 0 mass 2085.09806 reference lipidmapsM:LMSP0601FM03 InChIKey QMMFSFDHVWGKOQ-PHFGOAFGSA-N InChI InChI=1S/C95H168N4O45/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-62(113)99-52(53(110)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)47-129-89-76(124)74(122)80(61(46-106)136-89)137-91-77(125)83(69(117)57(42-102)132-91)140-87-64(97-50(5)108)72(120)79(60(45-105)135-87)138-93-86(142-90-75(123)73(121)66(114)48(3)130-90)85(71(119)59(44-104)134-93)141-88-65(98-51(6)109)81(68(116)56(41-101)131-88)139-92-78(126)84(70(118)58(43-103)133-92)144-95(94(127)128)39-54(111)63(96-49(4)107)82(143-95)67(115)55(112)40-100/h35,37,48,52-61,63-93,100-106,110-112,114-126H,7-34,36,38-47H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,113)(H,127,128)/b37-35+/t48?,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-,95-/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](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@]7(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O7)C6O)C5NC(C)=O)C4O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph