Escherichia coli serotype O:21 O antigen

Properties Image MNX_ID MNXM1134125 reference metacycM:CPD-24171 formula C155H253N6O82P2* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]7[C@@H](O)[C@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9NC(C)=O)[C@H](O[C@H]9[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]9NC(C)=O)O[C@@H]8CO)O[C@H](CO)[C@@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@@H]6NC=O)O[C@@H]5CO)O[C@H](CO)[C@@H]4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]3NC=O)O[C@@H]2CO)O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C156H258N6O82P2/c1-67(2)28-18-29-68(3)30-19-31-69(4)32-20-33-70(5)34-21-35-71(6)36-22-37-72(7)38-23-39-73(8)40-24-41-74(9)42-25-43-75(10)44-26-45-76(11)46-27-47-77(12)48-49-213-245(208,209)244-246(210,211)243-147-102(162-81(16)183)135(111(192)90(58-171)219-147)237-156-141(242-144-99(161-80(15)182)114(195)105(186)84(52-165)216-144)123(204)129(93(61-174)228-156)231-153-126(207)138(132(96(64-177)225-153)234-150-120(201)117(198)108(189)87(55-168)222-150)239-146-101(158-66-179)134(110(191)89(57-170)218-146)236-155-140(241-143-98(160-79(14)181)113(194)104(185)83(51-164)215-143)122(203)128(92(60-173)227-155)230-152-125(206)137(131(95(63-176)224-152)233-149-119(200)116(197)107(188)86(54-167)221-149)238-145-100(157-65-178)133(109(190)88(56-169)217-145)235-154-139(240-142-97(159-78(13)180)112(193)103(184)82(50-163)214-142)121(202)127(91(59-172)226-154)229-151-124(205)136(212-17)130(94(62-175)223-151)232-148-118(199)115(196)106(187)85(53-166)220-148/h28,30,32,34,36,38,40,42,44,46,48,65-66,82-156,163-177,184-207H,18-27,29,31,33,35,37,39,41,43,45,47,49-64H2,1-17H3,(H,157,178)(H,158,179)(H,159,180)(H,160,181)(H,161,182)(H,162,183)(H,208,209)(H,210,211)/b68-30+,69-32+,70-34-,71-36-,72-38-,73-40-,74-42-,75-44-,76-46-,77-48-/t82-,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+,147-,148+,149+,150+,151+,152+,153+,154+,155+,156+/m1/s1/i17+1 SMILES (mnx) [CH3:1][C:67]([CH3:2])=[CH:28][CH2:18][CH2:29]/[C:68]([CH3:3])=[CH:30]/[CH2:19][CH2:31]/[C:69]([CH3:4])=[CH:32]/[CH2:20][CH2:33]/[C:70]([CH3:5])=[CH:34]\[CH2:21][CH2:35]/[C:71]([CH3:6])=[CH:36]\[CH2:22][CH2:37]/[C:72]([CH3:7])=[CH:38]\[CH2:23][CH2:39]/[C:73]([CH3:8])=[CH:40]\[CH2:24][CH2:41]/[C:74]([CH3:9])=[CH:42]\[CH2:25][CH2:43]/[C:75]([CH3:10])=[CH:44]\[CH2:26][CH2:45]/[C:76]([CH3:11])=[CH:46]\[CH2:27][CH2:47]/[C:77]([CH3:12])=[CH:48]\[CH2:49][O:213][P:245]([OH:208])(=[O:209])[O:244][P:246]([OH:210])(=[O:211])[O:243][C@@H:147]1[C@H:102]([N:162]=[C:81]([CH3:16])[OH:183])[C@@H:135]([O:237][C@H:156]2[C@H:141]([O:242][C@H:144]3[C@H:99]([N:161]=[C:80]([CH3:15])[OH:182])[C@@H:114]([OH:195])[C@H:105]([OH:186])[C@@H:84]([CH2:52][OH:165])[O:216]3)[C@@H:123]([OH:204])[C@H:129]([O:231][C@H:153]3[C@H:126]([OH:207])[C@@H:138]([O:239][C@H:146]4[C@H:101]([N:158]=[CH:66][OH:179])[C@@H:134]([O:236][C@H:155]5[C@H:140]([O:241][C@H:143]6[C@H:98]([N:160]=[C:79]([CH3:14])[OH:181])[C@@H:113]([OH:194])[C@H:104]([OH:185])[C@@H:83]([CH2:51][OH:164])[O:215]6)[C@@H:122]([OH:203])[C@H:128]([O:230][C@H:152]6[C@H:125]([OH:206])[C@@H:137]([O:238][C@H:145]7[C@H:100]([N:157]=[CH:65][OH:178])[C@@H:133]([O:235][C@H:154]8[C@H:139]([O:240][C@H:142]9[C@H:97]([N:159]=[C:78]([CH3:13])[OH:180])[C@@H:112]([OH:193])[C@H:103]([OH:184])[C@@H:82]([CH2:50][OH:163])[O:214]9)[C@@H:121]([OH:202])[C@H:127]([O:229][C@H:151]9[C@H:124]([OH:205])[C@@H:136]([O:212][13CH3:17])[C@@H:130]([O:232][C@H:148]%10[C@H:118]([OH:199])[C@@H:115]([OH:196])[C@@H:106]([OH:187])[C@@H:85]([CH2:53][OH:166])[O:220]%10)[C@@H:94]([CH2:62][OH:175])[O:223]9)[C@@H:91]([CH2:59][OH:172])[O:226]8)[C@@H:109]([OH:190])[C@@H:88]([CH2:56][OH:169])[O:217]7)[C@@H:131]([O:233][C@H:149]7[C@H:119]([OH:200])[C@@H:116]([OH:197])[C@@H:107]([OH:188])[C@@H:86]([CH2:54][OH:167])[O:221]7)[C@@H:95]([CH2:63][OH:176])[O:224]6)[C@@H:92]([CH2:60][OH:173])[O:227]5)[C@@H:110]([OH:191])[C@@H:89]([CH2:57][OH:170])[O:218]4)[C@@H:132]([O:234][C@H:150]4[C@H:120]([OH:201])[C@@H:117]([OH:198])[C@@H:108]([OH:189])[C@@H:87]([CH2:55][OH:168])[O:222]4)[C@@H:96]([CH2:64][OH:177])[O:225]3)[C@@H:93]([CH2:61][OH:174])[O:228]2)[C@@H:111]([OH:192])[C@@H:90]([CH2:58][OH:171])[O:219]1

Parent-child relations graph

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