Escherichia coli serotype O:85 O antigen

Properties Image MNX_ID MNXM1134102 reference metacycM:CPD-24041 formula C157H257N6O82P2* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC[C@@H](O)[C@@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](OC[C@@H](O)[C@@H]7O[C@@H](O[C@H]8[C@H](O)[C@@H](CO)O[C@@H](O[C@H]9[C@@H](O[C@H]%10[C@H](O)[C@@H](CO)O[C@@H](OC[C@@H](O)[C@@H]%11O[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)[C@H](O)[C@H]%11O)[C@H]%10NC(C)=O)O[C@H](CO)[C@H](O[C@H]%10O[C@@H]([C@H](O)CO)[C@H](O)[C@H]%10O)[C@@H]9O)[C@@H]8NC(C)=O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)O[C@H](CO)[C@H](O[C@H]6O[C@@H]([C@H](O)CO)[C@H](O)[C@H]6O)[C@@H]5O)[C@@H]4NC(C)=O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O[C@H]2O[C@@H]([C@H](O)CO)[C@H](O)[C@H]2O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C158H262N6O82P2/c1-67(2)30-20-31-68(3)32-21-33-69(4)34-22-35-70(5)36-23-37-71(6)38-24-39-72(7)40-25-41-73(8)42-26-43-74(9)44-27-45-75(10)46-28-47-76(11)48-29-49-77(12)50-51-218-247(210,211)246-248(212,213)245-149-104(164-83(18)182)140(110(194)95(60-173)224-149)239-155-122(206)116(200)131(233-155)89(188)66-217-146-101(161-80(15)179)137(107(191)92(57-170)221-146)242-158-143(125(209)134(98(63-176)227-158)236-152-119(203)113(197)128(230-152)86(185)54-167)244-148-103(163-82(17)181)139(109(193)94(59-172)223-148)238-154-121(205)115(199)130(232-154)88(187)65-216-145-100(160-79(14)178)136(106(190)91(56-169)220-145)241-157-142(124(208)133(97(62-175)226-157)235-151-118(202)112(196)127(229-151)85(184)53-166)243-147-102(162-81(16)180)138(108(192)93(58-171)222-147)237-153-120(204)114(198)129(231-153)87(186)64-215-144-99(159-78(13)177)135(105(189)90(55-168)219-144)240-156-141(214-19)123(207)132(96(61-174)225-156)234-150-117(201)111(195)126(228-150)84(183)52-165/h30,32,34,36,38,40,42,44,46,48,50,84-158,165-176,183-209H,20-29,31,33,35,37,39,41,43,45,47,49,51-66H2,1-19H3,(H,159,177)(H,160,178)(H,161,179)(H,162,180)(H,163,181)(H,164,182)(H,210,211)(H,212,213)/b68-32+,69-34+,70-36-,71-38-,72-40-,73-42-,74-44-,75-46-,76-48-,77-50-/t84-,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-,157-,158-/m1/s1/i19+1 SMILES (mnx) [CH3:1][C:67]([CH3:2])=[CH:30][CH2:20][CH2:31]/[C:68]([CH3:3])=[CH:32]/[CH2:21][CH2:33]/[C:69]([CH3:4])=[CH:34]/[CH2:22][CH2:35]/[C:70]([CH3:5])=[CH:36]\[CH2:23][CH2:37]/[C:71]([CH3:6])=[CH:38]\[CH2:24][CH2:39]/[C:72]([CH3:7])=[CH:40]\[CH2:25][CH2:41]/[C:73]([CH3:8])=[CH:42]\[CH2:26][CH2:43]/[C:74]([CH3:9])=[CH:44]\[CH2:27][CH2:45]/[C:75]([CH3:10])=[CH:46]\[CH2:28][CH2:47]/[C:76]([CH3:11])=[CH:48]\[CH2:29][CH2:49]/[C:77]([CH3:12])=[CH:50]\[CH2:51][O:218][P:247]([OH:210])(=[O:211])[O:246][P:248]([OH:212])(=[O:213])[O:245][C@@H:149]1[C@H:104]([N:164]=[C:83]([CH3:18])[OH:182])[C@@H:140]([O:239][C@H:155]2[C@H:122]([OH:206])[C@@H:116]([OH:200])[C@H:131]([C@@H:89]([CH2:66][O:217][C@H:146]3[C@@H:101]([N:161]=[C:80]([CH3:15])[OH:179])[C@@H:137]([O:242][C@@H:158]4[C@H:143]([O:244][C@H:148]5[C@H:103]([N:163]=[C:82]([CH3:17])[OH:181])[C@@H:139]([O:238][C@H:154]6[C@H:121]([OH:205])[C@@H:115]([OH:199])[C@H:130]([C@@H:88]([CH2:65][O:216][C@H:145]7[C@@H:100]([N:160]=[C:79]([CH3:14])[OH:178])[C@@H:136]([O:241][C@@H:157]8[C@H:142]([O:243][C@H:147]9[C@H:102]([N:162]=[C:81]([CH3:16])[OH:180])[C@@H:138]([O:237][C@H:153]%10[C@H:120]([OH:204])[C@@H:114]([OH:198])[C@H:129]([C@@H:87]([CH2:64][O:215][C@H:144]%11[C@@H:99]([N:159]=[C:78]([CH3:13])[OH:177])[C@@H:135]([O:240][C@@H:156]%12[C@H:141]([O:214][13CH3:19])[C@@H:123]([OH:207])[C@@H:132]([O:234][C@@H:150]%13[C@H:117]([OH:201])[C@@H:111]([OH:195])[C@H:126]([C@@H:84]([CH2:52][OH:165])[OH:183])[O:228]%13)[C@@H:96]([CH2:61][OH:174])[O:225]%12)[C@H:105]([OH:189])[C@@H:90]([CH2:55][OH:168])[O:219]%11)[OH:186])[O:231]%10)[C@H:108]([OH:192])[C@@H:93]([CH2:58][OH:171])[O:222]9)[C@@H:124]([OH:208])[C@@H:133]([O:235][C@@H:151]9[C@H:118]([OH:202])[C@@H:112]([OH:196])[C@H:127]([C@@H:85]([CH2:53][OH:166])[OH:184])[O:229]9)[C@@H:97]([CH2:62][OH:175])[O:226]8)[C@H:106]([OH:190])[C@@H:91]([CH2:56][OH:169])[O:220]7)[OH:187])[O:232]6)[C@H:109]([OH:193])[C@@H:94]([CH2:59][OH:172])[O:223]5)[C@@H:125]([OH:209])[C@@H:134]([O:236][C@@H:152]5[C@H:119]([OH:203])[C@@H:113]([OH:197])[C@H:128]([C@@H:86]([CH2:54][OH:167])[OH:185])[O:230]5)[C@@H:98]([CH2:63][OH:176])[O:227]4)[C@H:107]([OH:191])[C@@H:92]([CH2:57][OH:170])[O:221]3)[OH:188])[O:233]2)[C@H:110]([OH:194])[C@@H:95]([CH2:60][OH:173])[O:224]1

Parent-child relations graph

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