enterobacterial common antigen-core oligosaccharide-lipid A

Properties Image Occurences in reactions MNX_ID MNXM31481 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C258H426N14O149P4 charge -14 mass 6228.5215 reference metacycM:CPD0-2294 InChIKey HMQFHNRXOZLSNC-PWNKAOEWSA-A InChI InChI=1S/C258H440N14O149P4/c1-23-29-35-41-47-53-54-60-66-72-78-84-148(307)378-126(82-76-70-64-58-51-45-39-33-27-5)88-150(309)390-214-164(272-146(305)87-125(81-75-69-63-57-50-44-38-32-26-4)377-147(306)83-77-71-65-59-52-46-40-34-28-6)234(369-104-142-169(314)213(389-149(308)86-124(296)80-74-68-62-56-49-43-37-31-25-3)163(242(385-142)421-425(364,365)366)271-145(304)85-123(295)79-73-67-61-55-48-42-36-30-24-2)388-144(209(214)418-422(355,356)357)106-372-257(255(351)352)90-134(415-258(256(353)354)89-127(297)165(310)200(416-258)129(299)92-274)208(203(417-257)131(301)94-276)399-252-196(341)220(223(419-423(358,359)360)201(393-252)130(300)93-275)409-253-197(342)221(224(420-424(361,362)363)202(394-253)133(303)102-368-244-189(334)182(327)185(330)198(391-244)128(298)91-273)408-251-195(340)215(170(315)143(387-251)105-370-243-188(333)180(325)166(311)135(95-277)379-243)403-254-222(184(329)167(312)136(96-278)380-254)410-247-191(336)181(326)168(313)141(386-247)103-371-245-190(335)183(328)186(331)199(392-245)132(302)101-367-233-155(263-115(15)287)172(317)204(137(97-279)381-233)395-238-160(268-120(20)292)177(322)217(226(412-238)230(345)346)405-248-192(337)210(152(108(8)374-248)260-112(12)284)401-236-157(265-117(17)289)174(319)206(139(99-281)383-236)397-240-162(270-122(22)294)179(324)219(228(414-240)232(349)350)407-250-194(339)212(154(110(10)376-250)262-114(14)286)402-237-158(266-118(18)290)175(320)207(140(100-282)384-237)398-241-161(269-121(21)293)178(323)218(227(413-241)231(347)348)406-249-193(338)211(153(109(9)375-249)261-113(13)285)400-235-156(264-116(16)288)173(318)205(138(98-280)382-235)396-239-159(267-119(19)291)176(321)216(225(411-239)229(343)344)404-246-187(332)171(316)151(107(7)373-246)259-111(11)283/h107-110,123-144,151-228,233-254,273-282,295-303,310-342H,23-106H2,1-22H3,(H,259,283)(H,260,284)(H,261,285)(H,262,286)(H,263,287)(H,264,288)(H,265,289)(H,266,290)(H,267,291)(H,268,292)(H,269,293)(H,270,294)(H,271,304)(H,272,305)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H2,355,356,357)(H2,358,359,360)(H2,361,362,363)(H2,364,365,366)/p-14/t107-,108+,109+,110-,123+,124+,125+,126+,127+,128-,129+,130-,131+,132-,133+,134+,135+,136+,137+,138-,139-,140+,141+,142+,143+,144+,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-,187-,188+,189-,190-,191+,192+,193+,194-,195+,196-,197-,198+,199+,200+,201+,202+,203+,204+,205-,206-,207+,208+,209+,210-,211-,212+,213+,214+,215-,216-,217+,218+,219-,220+,221+,222+,223+,224+,225-,226+,227+,228-,233-,234+,235-,236-,237+,238-,239+,240+,241-,242+,243-,244-,245-,246-,247+,248+,249+,250-,251+,252+,253-,254+,257+,258+/m0/s1 SMILES CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@@H]4O[C@H]([C@H](O)CO[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](OP(=O)([O-])[O-])[C@H](O[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO[C@H]7O[C@H]([C@@H](O)CO[C@H]8O[C@H](CO)[C@@H](O[C@H]9O[C@@H](C(=O)[O-])[C@H](O[C@H]%10O[C@H](C)[C@H](NC(C)=O)[C@H](O[C@@H]%11O[C@@H](CO)[C@H](O[C@@H]%12O[C@H](C(=O)[O-])[C@@H](O[C@@H]%13O[C@@H](C)[C@@H](NC(C)=O)[C@@H](O[C@H]%14O[C@H](CO)[C@@H](O[C@H]%15O[C@@H](C(=O)[O-])[C@H](O[C@H]%16O[C@H](C)[C@H](NC(C)=O)[C@H](O[C@@H]%17O[C@@H](CO)[C@H](O[C@@H]%18O[C@H](C(=O)[O-])[C@@H](O[C@@H]%19O[C@@H](C)[C@@H](NC(C)=O)[C@@H](O)[C@@H]%19O)[C@H](O)[C@@H]%18NC(C)=O)[C@@H](O)[C@@H]%17NC(C)=O)[C@H]%16O)[C@@H](O)[C@H]%15NC(C)=O)[C@H](O)[C@H]%14NC(C)=O)[C@@H]%13O)[C@H](O)[C@@H]%12NC(C)=O)[C@@H](O)[C@@H]%11NC(C)=O)[C@H]%10O)[C@@H](O)[C@H]9NC(C)=O)[C@H](O)[C@H]8NC(C)=O)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)O[C@@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph