GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)

Properties Image Occurences in reactions MNX_ID MNXM28521 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H152N4O36 charge 0 mass 1805.01863 reference lipidmapsM:LMSP0601DP04 InChIKey OYTRFHGVJCDZMW-FCOKNMAGSA-N InChI InChI=1S/C85H152N4O36/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-60(102)89-51(52(99)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)47-114-81-70(109)69(108)73(58(45-94)118-81)120-82-71(110)77(67(106)57(44-93)117-82)123-80-63(88-50(5)98)75(66(105)56(43-92)116-80)122-83-72(111)78(74(59(46-95)119-83)121-79-62(87-49(4)97)68(107)65(104)55(42-91)115-79)125-85(84(112)113)40-53(100)61(86-48(3)96)76(124-85)64(103)54(101)41-90/h36,38,51-59,61-83,90-95,99-101,103-111H,6-35,37,39-47H2,1-5H3,(H,86,96)(H,87,97)(H,88,98)(H,89,102)(H,112,113)/b38-36+/t51-,52+,53?,54+,55?,56?,57?,58?,59?,61+,62?,63?,64+,65-,66+,67-,68+,69+,70?,71?,72?,73+,74-,75+,76?,77-,78+,79-,80-,81+,82-,83-,85-/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)CCCCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph