GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0)

Properties Image Occurences in reactions MNX_ID MNXM26419 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C81H144N4O36 charge 0 mass 1748.95603 reference lipidmapsM:LMSP0601DP02 InChIKey FOTQCMROXRFTFY-MCQGNOPASA-N InChI InChI=1S/C81H144N4O36/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(98)85-47(48(95)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-110-77-66(105)65(104)69(54(41-90)114-77)116-78-67(106)73(63(102)53(40-89)113-78)119-76-59(84-46(5)94)71(62(101)52(39-88)112-76)118-79-68(107)74(70(55(42-91)115-79)117-75-58(83-45(4)93)64(103)61(100)51(38-87)111-75)121-81(80(108)109)36-49(96)57(82-44(3)92)72(120-81)60(99)50(97)37-86/h32,34,47-55,57-79,86-91,95-97,99-107H,6-31,33,35-43H2,1-5H3,(H,82,92)(H,83,93)(H,84,94)(H,85,98)(H,108,109)/b34-32+/t47-,48+,49?,50+,51?,52?,53?,54?,55?,57+,58?,59?,60+,61-,62+,63-,64+,65+,66?,67?,68?,69+,70-,71+,72?,73-,74+,75-,76-,77+,78-,79-,81-/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)CCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph