Escherichia coli serotype O:183 O antigen

Properties Image MNX_ID MNXM1134124 reference metacycM:CPD-24160 formula C166H263N3O97P2* global charge -5 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1[C@@H](O)[C@@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](O)[C@@H](OC[C@H]6O[C@H](O[C@@H]7[C@@H](O[C@H]8[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]9[C@@H](O)[C@@H](OC[C@H]%10O[C@H](O[C@@H]%11[C@@H](O[C@H]%12[C@@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]%12NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]%11O)[C@@H](O)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H]9O[C@@H]9O[C@H](C(=O)[O-])[C@@H](O[C@H]%10O[C@H](CO)[C@@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@@H]8NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H]5O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H]4NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C167H271N3O97P2/c1-64(2)27-17-28-65(3)29-18-30-66(4)31-19-32-67(5)33-20-34-68(6)35-21-36-69(7)37-22-38-70(8)39-23-40-71(9)41-24-42-72(10)43-25-44-73(11)45-26-46-74(12)47-48-233-268(225,226)267-269(227,228)266-152-95(170-77(15)185)134(107(197)86(57-179)236-152)254-167-143(113(203)98(188)80(51-173)242-167)262-161-122(212)110(200)104(194)92(248-161)63-232-155-128(218)140(131(89(60-182)245-155)251-164-125(215)116(206)138(146(265-164)149(223)224)259-158-119(209)101(191)83(54-176)239-158)256-151-94(169-76(14)184)133(106(196)85(56-178)235-151)253-166-142(112(202)97(187)79(50-172)241-166)261-160-121(211)109(199)103(193)91(247-160)62-231-154-127(217)139(130(88(59-181)244-154)250-163-124(214)115(205)137(145(264-163)148(221)222)258-157-118(208)100(190)82(53-175)238-157)255-150-93(168-75(13)183)132(105(195)84(55-177)234-150)252-165-141(111(201)96(186)78(49-171)240-165)260-159-120(210)108(198)102(192)90(246-159)61-230-153-126(216)135(229-16)129(87(58-180)243-153)249-162-123(213)114(204)136(144(263-162)147(219)220)257-156-117(207)99(189)81(52-174)237-156/h27,29,31,33,35,37,39,41,43,45,47,78-146,150-167,171-182,186-218H,17-26,28,30,32,34,36,38,40,42,44,46,48-63H2,1-16H3,(H,168,183)(H,169,184)(H,170,185)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)/b65-29+,66-31+,67-33-,68-35-,69-37-,70-39-,71-41-,72-43-,73-45-,74-47-/t78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107+,108+,109+,110+,111+,112+,113+,114-,115-,116-,117-,118-,119-,120+,121+,122+,123-,124-,125-,126-,127-,128-,129+,130+,131+,132-,133-,134-,135-,136+,137+,138+,139-,140-,141+,142+,143+,144+,145+,146+,150+,151+,152-,153+,154+,155+,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-/m1/s1/i16+1 SMILES (mnx) [CH3:1][C:64]([CH3:2])=[CH:27][CH2:17][CH2:28]/[C:65]([CH3:3])=[CH:29]/[CH2:18][CH2:30]/[C:66]([CH3:4])=[CH:31]/[CH2:19][CH2:32]/[C:67]([CH3:5])=[CH:33]\[CH2:20][CH2:34]/[C:68]([CH3:6])=[CH:35]\[CH2:21][CH2:36]/[C:69]([CH3:7])=[CH:37]\[CH2:22][CH2:38]/[C:70]([CH3:8])=[CH:39]\[CH2:23][CH2:40]/[C:71]([CH3:9])=[CH:41]\[CH2:24][CH2:42]/[C:72]([CH3:10])=[CH:43]\[CH2:25][CH2:44]/[C:73]([CH3:11])=[CH:45]\[CH2:26][CH2:46]/[C:74]([CH3:12])=[CH:47]\[CH2:48][O:233][P:268]([OH:225])(=[O:226])[O:267][P:269]([OH:227])(=[O:228])[O:266][C@@H:152]1[C@H:95]([N:170]=[C:77]([CH3:15])[OH:185])[C@@H:134]([O:254][C@@H:167]2[C@@H:143]([O:262][C@@H:161]3[C@@H:122]([OH:212])[C@@H:110]([OH:200])[C@H:104]([OH:194])[C@@H:92]([CH2:63][O:232][C@@H:155]4[C@H:128]([OH:218])[C@@H:140]([O:256][C@H:151]5[C@H:94]([N:169]=[C:76]([CH3:14])[OH:184])[C@@H:133]([O:253][C@@H:166]6[C@@H:142]([O:261][C@@H:160]7[C@@H:121]([OH:211])[C@@H:109]([OH:199])[C@H:103]([OH:193])[C@@H:91]([CH2:62][O:231][C@@H:154]8[C@H:127]([OH:217])[C@@H:139]([O:255][C@H:150]9[C@H:93]([N:168]=[C:75]([CH3:13])[OH:183])[C@@H:132]([O:252][C@@H:165]%10[C@@H:141]([O:260][C@@H:159]%11[C@@H:120]([OH:210])[C@@H:108]([OH:198])[C@H:102]([OH:192])[C@@H:90]([CH2:61][O:230][C@@H:153]%12[C@H:126]([OH:216])[C@@H:135]([O:229][13CH3:16])[C@@H:129]([O:249][C@H:162]%13[C@H:123]([OH:213])[C@@H:114]([OH:204])[C@H:136]([O:257][C@@H:156]%14[C@H:117]([OH:207])[C@H:99]([OH:189])[C@@H:81]([CH2:52][OH:174])[O:237]%14)[C@@H:144]([C:147](=[O:219])[OH:220])[O:263]%13)[C@@H:87]([CH2:58][OH:180])[O:243]%12)[O:246]%11)[C@@H:111]([OH:201])[C@H:96]([OH:186])[C@@H:78]([CH2:49][OH:171])[O:240]%10)[C@@H:105]([OH:195])[C@@H:84]([CH2:55][OH:177])[O:234]9)[C@@H:130]([O:250][C@H:163]9[C@H:124]([OH:214])[C@@H:115]([OH:205])[C@H:137]([O:258][C@@H:157]%10[C@H:118]([OH:208])[C@H:100]([OH:190])[C@@H:82]([CH2:53][OH:175])[O:238]%10)[C@@H:145]([C:148](=[O:221])[OH:222])[O:264]9)[C@@H:88]([CH2:59][OH:181])[O:244]8)[O:247]7)[C@@H:112]([OH:202])[C@H:97]([OH:187])[C@@H:79]([CH2:50][OH:172])[O:241]6)[C@@H:106]([OH:196])[C@@H:85]([CH2:56][OH:178])[O:235]5)[C@@H:131]([O:251][C@H:164]5[C@H:125]([OH:215])[C@@H:116]([OH:206])[C@H:138]([O:259][C@@H:158]6[C@H:119]([OH:209])[C@H:101]([OH:191])[C@@H:83]([CH2:54][OH:176])[O:239]6)[C@@H:146]([C:149](=[O:223])[OH:224])[O:265]5)[C@@H:89]([CH2:60][OH:182])[O:245]4)[O:248]3)[C@@H:113]([OH:203])[C@H:98]([OH:188])[C@@H:80]([CH2:51][OH:173])[O:242]2)[C@@H:107]([OH:197])[C@@H:86]([CH2:57][OH:179])[O:236]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0