NeuAcalpha2-6Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM26617 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C81H145N3O36 charge 0 mass 1735.96078 reference lipidmapsM:LMSP0601GL03 InChIKey WWUGUEIXKJSTDZ-QJDMJWQFSA-N InChI InChI=1S/C81H145N3O36/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-56(95)84-47(48(92)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)43-109-76-67(104)65(102)70(54(42-89)114-76)116-78-69(106)74(63(100)53(41-88)112-78)119-79-68(105)73(62(99)52(40-87)113-79)118-75-58(83-46(4)91)71(61(98)51(39-86)111-75)117-77-66(103)64(101)60(97)55(115-77)44-110-81(80(107)108)37-49(93)57(82-45(3)90)72(120-81)59(96)50(94)38-85/h33,35,47-55,57-79,85-89,92-94,96-106H,5-32,34,36-44H2,1-4H3,(H,82,90)(H,83,91)(H,84,95)(H,107,108)/b35-33+/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](O[C@@H]5OC(CO[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)C5O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph