H. pylori KDO2-lipid IVA

Properties Image Occurences in reactions MNX_ID MNXM814731 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C96H178N2O37P2 charge 0 mass 2013.15837 reference keggC:C22068 InChIKey REFQZGVEJNGJFH-PZSIGWFVSA-N InChI InChI=1S/C96H178N2O37P2/c1-5-9-13-17-21-25-29-31-35-39-41-45-49-53-67(101)57-77(108)97-81-89(129-79(110)59-69(103)55-51-47-43-37-33-27-23-19-15-11-7-3)85(114)75(127-92(81)135-137(122,123)124)65-125-91-82(98-78(109)58-68(102)54-50-46-42-40-36-32-30-26-22-18-14-10-6-2)90(130-80(111)60-70(104)56-52-48-44-38-34-28-24-20-16-12-8-4)88(134-136(119,120)121)76(128-91)66-126-95(93(115)116)62-74(84(113)87(132-95)73(107)64-100)131-96(94(117)118)61-71(105)83(112)86(133-96)72(106)63-99/h67-76,81-92,99-107,112-114H,5-66H2,1-4H3,(H,97,108)(H,98,109)(H,115,116)(H,117,118)(H2,119,120,121)(H2,122,123,124)/t67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,95-,96-/m1/s1 SMILES CCCCCCCCCCCCCCC[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]([C@H](O)CO)O3)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph