hepta-acylated core oligosaccharide lipid A

Properties Image Occurences in reactions MNX_ID MNXM11799 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2 formula C192H333N2O101P4 charge -11 mass 4406.99934 reference metacycM:CPD0-2264 InChIKey VQLWGPMXDVGIPI-NACBSPIASA-C InChI InChI=1S/C192H344N2O101P4/c1-9-16-23-30-37-44-46-47-49-56-63-69-76-83-128(214)266-107(79-72-65-58-51-40-33-26-19-12-4)86-126(212)193-133-168(275-131(217)85-106(203)78-71-64-57-50-39-32-25-18-11-3)140(224)123(271-177(133)295-299(257,258)259)102-261-176-134(194-127(213)87-108(80-73-66-59-52-41-34-27-20-13-5)267-129(215)82-75-68-61-54-43-36-29-22-15-7)169(276-132(218)88-109(81-74-67-60-53-42-35-28-21-14-6)268-130(216)84-77-70-62-55-48-45-38-31-24-17-10-2)167(292-296(248,249)250)125(274-176)104-264-190(187(242)243)91-119(288-192(189(246)247)90-118(139(223)160(289-192)113(207)94-197)287-191(188(244)245)89-110(204)161(164(291-191)115(209)96-199)279-181-153(237)142(226)135(219)105(8)265-181)166(165(290-190)116(210)97-200)282-184-156(240)171(174(293-297(251,252)253)162(280-184)114(208)95-198)285-185-157(241)172(175(294-298(254,255)256)163(281-185)117(211)100-260-179-151(235)145(229)148(232)158(277-179)111(205)92-195)284-183-155(239)170(141(225)124(273-183)103-262-178-150(234)143(227)136(220)120(98-201)269-178)283-186-173(147(231)137(221)121(99-202)270-186)286-182-154(238)144(228)138(222)122(272-182)101-263-180-152(236)146(230)149(233)159(278-180)112(206)93-196/h105-125,133-186,195-211,219-241H,9-104H2,1-8H3,(H,193,212)(H,194,213)(H,242,243)(H,244,245)(H,246,247)(H2,248,249,250)(H2,251,252,253)(H2,254,255,256)(H2,257,258,259)/p-11/t105-,106+,107+,108+,109+,110+,111-,112-,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,133+,134+,135-,136-,137+,138+,139+,140+,141+,142+,143-,144-,145-,146-,147-,148-,149-,150+,151-,152-,153+,154+,155+,156-,157-,158+,159?,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170-,171+,172+,173+,174+,175+,176+,177+,178+,179-,180-,181-,182-,183-,184+,185-,186-,190+,191+,192+/m0/s1 SMILES CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)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@]5(C(=O)[O-])C[C@@H](O)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H]([C@H](O)CO)O5)[C@@H](O)[C@@H]([C@H](O)CO)O4)[C@@H](O[C@H]4O[C@H]([C@H](O)CO)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]5O[C@H]([C@H](O)CO[C@H]6O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO[C@H]8OC([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]8O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@H]5O)[C@@H]4O)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph