NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25599 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C82H144N4O39 charge 0 mass 1808.94077 reference lipidmapsM:LMSP0601DT01 InChIKey BRZMQLAMYQUHQE-YBNFGSAISA-N InChI InChI=1S/C82H144N4O39/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-47(96)46(86-56(100)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)42-114-76-66(107)65(106)69(55(41-92)118-76)119-77-67(108)73(62(103)52(38-89)116-77)121-75-59(85-45(5)95)70(61(102)51(37-88)115-75)120-78-68(109)74(63(104)53(39-90)117-78)125-82(80(112)113)35-49(98)58(84-44(4)94)72(124-82)64(105)54(40-91)122-81(79(110)111)34-48(97)57(83-43(3)93)71(123-81)60(101)50(99)36-87/h30,32,46-55,57-78,87-92,96-99,101-109H,6-29,31,33-42H2,1-5H3,(H,83,93)(H,84,94)(H,85,95)(H,86,100)(H,110,111)(H,112,113)/b32-30+/t46-,47+,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-,81+,82-/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@]5(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@@H](CO)O[C@]6(C(=O)O)CC(O)[C@@H](NC(C)=O)C([C@H](O)[C@H](O)CO)O6)O5)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph