(enterobacterial common antigen)x4 core oligosaccharide lipid A

Properties Image Occurences in reactions MNX_ID MNXM741411 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C258H426N14O149P4 charge -14 mass 6228.5215 reference seedM:cpd15457 InChIKey GNSJIHLSUBWDDQ-ZNIUKDOXSA-A InChI InChI=1S/C258H440N14O149P4/c1-23-29-35-41-47-53-54-60-66-72-78-84-148(308)377-126(82-76-70-64-58-51-45-39-33-27-5)88-150(310)389-214-164(272-146(306)87-125(81-75-69-63-57-50-44-38-32-26-4)376-147(307)83-77-71-65-59-52-46-40-34-28-6)233(368-103-141-168(314)213(388-149(309)86-124(297)80-74-68-62-56-49-43-37-31-25-3)163(242(384-141)421-425(364,365)366)271-145(305)85-123(296)79-73-67-61-55-48-42-36-30-24-2)386-144(209(214)418-422(355,356)357)106-371-257(255(351)352)90-134(415-258(256(353)354)89-127(298)165(311)199(416-258)130(301)93-275)208(202(417-257)132(303)95-277)399-252-195(341)220(223(419-423(358,359)360)200(392-252)131(302)94-276)409-253-196(342)221(224(420-424(361,362)363)201(393-253)133(304)102-367-244-188(334)180(326)183(329)197(390-244)128(299)91-273)408-251-194(340)215(169(315)142(385-251)104-369-243-187(333)179(325)166(312)135(96-278)378-243)403-254-222(182(328)167(313)136(97-279)379-254)410-247-190(336)185(331)207(143(387-247)105-370-245-189(335)181(327)184(330)198(391-245)129(300)92-274)398-234-155(263-115(15)288)171(317)203(137(98-280)380-234)394-239-160(268-120(20)293)176(322)217(226(412-239)230(345)346)405-248-191(337)211(153(108(8)373-248)261-113(13)286)401-236-157(265-117(17)290)173(319)205(139(100-282)382-236)396-241-162(270-122(22)295)178(324)219(228(414-241)232(349)350)407-250-193(339)212(154(110(10)375-250)262-114(14)287)402-237-158(266-118(18)291)174(320)206(140(101-283)383-237)397-240-161(269-121(21)294)177(323)218(227(413-240)231(347)348)406-249-192(338)210(152(109(9)374-249)260-112(12)285)400-235-156(264-116(16)289)172(318)204(138(99-281)381-235)395-238-159(267-119(19)292)175(321)216(225(411-238)229(343)344)404-246-186(332)170(316)151(107(7)372-246)259-111(11)284/h107-110,123-144,151-228,233-254,273-283,296-304,311-342H,23-106H2,1-22H3,(H,259,284)(H,260,285)(H,261,286)(H,262,287)(H,263,288)(H,264,289)(H,265,290)(H,266,291)(H,267,292)(H,268,293)(H,269,294)(H,270,295)(H,271,305)(H,272,306)(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-/m1/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]7OC([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](C(=O)[O-])[C@@H](O[C@H]9O[C@H](C)[C@H](NC(C)=O)[C@H](O[C@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](C(=O)[O-])[C@@H](O[C@H]%12O[C@H](C)[C@H](NC(C)=O)[C@H](O[C@H]%13O[C@H](CO)[C@@H](O[C@@H]%14O[C@H](C(=O)[O-])[C@@H](O[C@H]%15O[C@H](C)[C@H](NC(C)=O)[C@H](O[C@H]%16O[C@H](CO)[C@@H](O[C@@H]%17O[C@H](C(=O)[O-])[C@@H](O[C@H]%18O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@H]%18O)[C@H](O)[C@@H]%17NC(C)=O)[C@H](O)[C@H]%16NC(C)=O)[C@H]%15O)[C@H](O)[C@@H]%14NC(C)=O)[C@H](O)[C@H]%13NC(C)=O)[C@H]%12O)[C@H](O)[C@@H]%11NC(C)=O)[C@H](O)[C@H]%10NC(C)=O)[C@H]9O)[C@H](O)[C@@H]8NC(C)=O)[C@H](O)[C@H]7NC(C)=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