GalNAcalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM28877 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C74H133N3O33 charge 0 mass 1591.88213 reference lipidmapsM:LMSP0502BE01 InChIKey HQVFUTLHSXCFGY-DSRPADOWSA-N InChI InChI=1S/C74H133N3O33/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(86)42(77-50(87)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-99-71-60(95)58(93)64(48(37-82)104-71)106-72-61(96)59(94)65(49(38-83)105-72)107-73-62(97)68(56(91)46(35-80)102-73)110-70-52(76-41(4)85)66(54(89)45(34-79)101-70)108-74-63(98)67(55(90)47(36-81)103-74)109-69-51(75-40(3)84)57(92)53(88)44(33-78)100-69/h29,31,42-49,51-74,78-83,86,88-98H,5-28,30,32-39H2,1-4H3,(H,75,84)(H,76,85)(H,77,87)/b31-29+/t42-,43+,44?,45?,46?,47?,48?,49?,51?,52?,53-,54-,55-,56-,57+,58+,59+,60?,61?,62?,63?,64+,65-,66+,67-,68-,69+,70-,71+,72-,73-,74-/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]3OC(CO)[C@H](O)[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)C6NC(C)=O)C5O)C4NC(C)=O)C3O)[C@H](O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph