Sialyl-Lea(d18:1/24:1(15Z))

Properties Image Occurences in reactions MNX_ID MNXM28995 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C85H151N3O35 charge 0 mass 1774.01281 reference lipidmapsM:LMSP0601CH07 InChIKey SMZUVVKPYNWSBW-UEIXMDDUSA-N InChI InChI=1S/C85H151N3O35/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-60(99)88-52(53(96)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2)48-112-80-70(107)67(104)74(57(45-91)116-80)119-82-71(108)68(105)73(58(46-92)117-82)118-79-62(87-51(5)95)77(75(59(47-93)115-79)120-81-69(106)66(103)63(100)49(3)113-81)121-83-72(109)78(65(102)56(44-90)114-83)123-85(84(110)111)42-54(97)61(86-50(4)94)76(122-85)64(101)55(98)43-89/h20-21,38,40,49,52-59,61-83,89-93,96-98,100-109H,6-19,22-37,39,41-48H2,1-5H3,(H,86,94)(H,87,95)(H,88,99)(H,110,111)/b21-20-,40-38+/t49?,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 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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]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)[C@H](O)C2O)[C@H](O)C1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph