GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM29819 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C83H148N4O36 charge 0 mass 1776.98733 reference lipidmapsM:LMSP0601FI03 InChIKey SQOQOBFYLDYDKL-IFFMZGRHSA-N InChI InChI=1S/C83H148N4O36/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-58(100)87-49(50(97)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2)45-112-79-68(107)67(106)72(56(43-92)116-79)119-80-69(108)75(64(103)54(41-90)114-80)121-78-61(86-48(5)96)66(105)71(55(42-91)115-78)118-81-70(109)76(73(57(44-93)117-81)120-77-60(85-47(4)95)65(104)63(102)53(40-89)113-77)123-83(82(110)111)38-51(98)59(84-46(3)94)74(122-83)62(101)52(99)39-88/h34,36,49-57,59-81,88-93,97-99,101-109H,6-33,35,37-45H2,1-5H3,(H,84,94)(H,85,95)(H,86,96)(H,87,100)(H,110,111)/b36-34+/t49-,50+,51?,52+,53?,54?,55?,56?,57?,59+,60?,61?,62+,63-,64-,65+,66+,67+,68?,69?,70?,71+,72+,73-,74?,75-,76+,77-,78-,79+,80-,81-,83-/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]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)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph