NeuAcalpha2-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM22708 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C95H168N4O45 charge 0 mass 2085.09806 reference lipidmapsM:LMSP0601DN03 InChIKey FLVCOVXQCRITND-OLLRHXDXSA-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(112)99-52(53(109)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)46-129-89-77(124)74(121)81(59(44-104)136-89)139-92-78(125)85(70(117)61(137-92)47-130-87-64(97-50(5)107)71(118)80(58(43-103)134-87)138-91-76(123)73(120)68(115)56(41-101)132-91)142-88-65(98-51(6)108)84(82(60(45-105)135-88)140-90-75(122)72(119)66(113)48(3)131-90)141-93-79(126)86(69(116)57(42-102)133-93)144-95(94(127)128)39-54(110)63(96-49(4)106)83(143-95)67(114)55(111)40-100/h35,37,48,52-61,63-93,100-105,109-111,113-126H,7-34,36,38-47H2,1-6H3,(H,96,106)(H,97,107)(H,98,108)(H,99,112)(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]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@H]4OC(C)[C@@H](O)C(O)[C@@H]4O)[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](O)CO)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph