heptosyl-Kdo2-lipid IVA

Properties Image Occurences in reactions MNX_ID MNXM18349 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C91H160N2O43P2 charge -6 mass 2030.9903 reference metacycM:HEPTOSYL-KDO2-LIPID-IVA InChIKey MLJZTFUCNAYCPC-UWNYOEEBSA-H InChI InChI=1S/C91H166N2O43P2/c1-5-9-13-17-21-25-29-33-37-41-56(97)45-67(105)92-71-83(128-69(107)47-58(99)43-39-35-31-27-23-19-15-11-7-3)74(110)65(126-86(71)136-138(121,122)123)54-124-85-72(93-68(106)46-57(98)42-38-34-30-26-22-18-14-10-6-2)84(129-70(108)48-59(100)44-40-36-32-28-24-20-16-12-8-4)82(135-137(118,119)120)66(127-85)55-125-90(88(114)115)50-64(132-91(89(116)117)49-60(101)73(109)79(133-91)62(103)52-95)81(80(134-90)63(104)53-96)131-87-77(113)75(111)76(112)78(130-87)61(102)51-94/h56-66,71-87,94-104,109-113H,5-55H2,1-4H3,(H,92,105)(H,93,106)(H,114,115)(H,116,117)(H2,118,119,120)(H2,121,122,123)/p-6/t56-,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,71-,72-,73-,74-,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,90-,91-/m1/s1 SMILES CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@@H](O[C@]4(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O4)[C@@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph