Escherichia coli serotype O:107 O antigen

Properties Image MNX_ID MNXM1134112 reference metacycM:CPD-24103 formula C163H266N9O79P2* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]7[C@@H](O)[C@H](C)O[C@@H](O[C@H]8[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]9[C@H](O)[C@@H](O)[C@H](O[C@H]%10[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]%11[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]%12[C@@H](O)[C@H](C)O[C@@H](O[C@H]%13[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]%14[C@H](O)[C@@H](O)[C@H](O[C@H]%15[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]%15NC(C)=O)O[C@@H]%14CO)O[C@@H]%13CO)[C@@H]%12O)O[C@@H]%11CO)[C@@H]%10NC(C)=O)O[C@@H]9CO)O[C@@H]8CO)[C@@H]7O)O[C@@H]6CO)[C@@H]5NC(C)=O)O[C@@H]4CO)O[C@@H]3CO)[C@@H]2O)O[C@@H]1CO MNX internals InChI (mnx) InChI=1/C164H271N9O79P2/c1-70(2)36-26-37-71(3)38-27-39-72(4)40-28-41-73(5)42-29-43-74(6)44-30-45-75(7)46-31-47-76(8)48-32-49-77(9)50-33-51-78(10)52-34-53-79(11)54-35-55-80(12)56-57-221-253(216,217)252-254(218,219)251-158-113(173-92(24)194)146(119(200)95(60-176)227-158)247-161-131(212)128(209)143(104(69-185)236-161)241-152-108(168-87(19)189)125(206)140(101(66-182)231-152)244-164-134(215)149(116(197)83(15)224-164)250-155-110(170-89(21)191)122(203)137(98(63-179)233-155)238-157-112(172-91(23)193)145(118(199)94(59-175)226-157)246-160-130(211)127(208)142(103(68-184)235-160)240-151-107(167-86(18)188)124(205)139(100(65-181)230-151)243-163-133(214)148(115(196)82(14)223-163)249-154-109(169-88(20)190)121(202)136(97(62-178)232-154)237-156-111(171-90(22)192)144(117(198)93(58-174)225-156)245-159-129(210)126(207)141(102(67-183)234-159)239-150-106(166-85(17)187)123(204)138(99(64-180)229-150)242-162-132(213)147(114(195)81(13)222-162)248-153-105(165-84(16)186)120(201)135(220-25)96(61-177)228-153/h36,38,40,42,44,46,48,50,52,54,56,81-83,93-164,174-185,195-215H,26-35,37,39,41,43,45,47,49,51,53,55,57-69H2,1-25H3,(H,165,186)(H,166,187)(H,167,188)(H,168,189)(H,169,190)(H,170,191)(H,171,192)(H,172,193)(H,173,194)(H,216,217)(H,218,219)/b71-38+,72-40+,73-42-,74-44-,75-46-,76-48-,77-50-,78-52-,79-54-,80-56-/t81-,82-,83-,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+,157+,158+,159-,160-,161-,162-,163-,164-/m0/s1/i25+1 SMILES (mnx) [CH3:1][C:70]([CH3:2])=[CH:36][CH2:26][CH2:37]/[C:71]([CH3:3])=[CH:38]/[CH2:27][CH2:39]/[C:72]([CH3:4])=[CH:40]/[CH2:28][CH2:41]/[C:73]([CH3:5])=[CH:42]\[CH2:29][CH2:43]/[C:74]([CH3:6])=[CH:44]\[CH2:30][CH2:45]/[C:75]([CH3:7])=[CH:46]\[CH2:31][CH2:47]/[C:76]([CH3:8])=[CH:48]\[CH2:32][CH2:49]/[C:77]([CH3:9])=[CH:50]\[CH2:33][CH2:51]/[C:78]([CH3:10])=[CH:52]\[CH2:34][CH2:53]/[C:79]([CH3:11])=[CH:54]\[CH2:35][CH2:55]/[C:80]([CH3:12])=[CH:56]\[CH2:57][O:221][P:253]([OH:216])(=[O:217])[O:252][P:254]([OH:218])(=[O:219])[O:251][C@@H:158]1[C@H:113]([N:173]=[C:92]([CH3:24])[OH:194])[C@@H:146]([O:247][C@H:161]2[C@H:131]([OH:212])[C@@H:128]([OH:209])[C@@H:143]([O:241][C@@H:152]3[C@H:108]([N:168]=[C:87]([CH3:19])[OH:189])[C@@H:125]([OH:206])[C@H:140]([O:244][C@H:164]4[C@H:134]([OH:215])[C@H:149]([O:250][C@H:155]5[C@H:110]([N:170]=[C:89]([CH3:21])[OH:191])[C@@H:122]([OH:203])[C@@H:137]([O:238][C@@H:157]6[C@H:112]([N:172]=[C:91]([CH3:23])[OH:193])[C@@H:145]([O:246][C@H:160]7[C@H:130]([OH:211])[C@@H:127]([OH:208])[C@@H:142]([O:240][C@@H:151]8[C@H:107]([N:167]=[C:86]([CH3:18])[OH:188])[C@@H:124]([OH:205])[C@H:139]([O:243][C@H:163]9[C@H:133]([OH:214])[C@H:148]([O:249][C@H:154]%10[C@H:109]([N:169]=[C:88]([CH3:20])[OH:190])[C@@H:121]([OH:202])[C@@H:136]([O:237][C@@H:156]%11[C@H:111]([N:171]=[C:90]([CH3:22])[OH:192])[C@@H:144]([O:245][C@H:159]%12[C@H:129]([OH:210])[C@@H:126]([OH:207])[C@@H:141]([O:239][C@@H:150]%13[C@H:106]([N:166]=[C:85]([CH3:17])[OH:187])[C@@H:123]([OH:204])[C@H:138]([O:242][C@H:162]%14[C@H:132]([OH:213])[C@H:147]([O:248][C@H:153]%15[C@H:105]([N:165]=[C:84]([CH3:16])[OH:186])[C@@H:120]([OH:201])[C@@H:135]([O:220][13CH3:25])[C@@H:96]([CH2:61][OH:177])[O:228]%15)[C@@H:114]([OH:195])[C@H:81]([CH3:13])[O:222]%14)[C@@H:99]([CH2:64][OH:180])[O:229]%13)[C@@H:102]([CH2:67][OH:183])[O:234]%12)[C@@H:117]([OH:198])[C@@H:93]([CH2:58][OH:174])[O:225]%11)[C@@H:97]([CH2:62][OH:178])[O:232]%10)[C@@H:115]([OH:196])[C@H:82]([CH3:14])[O:223]9)[C@@H:100]([CH2:65][OH:181])[O:230]8)[C@@H:103]([CH2:68][OH:184])[O:235]7)[C@@H:118]([OH:199])[C@@H:94]([CH2:59][OH:175])[O:226]6)[C@@H:98]([CH2:63][OH:179])[O:233]5)[C@@H:116]([OH:197])[C@H:83]([CH3:15])[O:224]4)[C@@H:101]([CH2:66][OH:182])[O:231]3)[C@@H:104]([CH2:69][OH:185])[O:236]2)[C@@H:119]([OH:200])[C@@H:95]([CH2:60][OH:176])[O:227]1

Parent-child relations graph

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