Escherichia coli serotype O:149 O antigen

Properties Image MNX_ID MNXM1134141 reference metacycM:CPD-24299 formula C130H200N6O55P2* global charge -5 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1[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](NC(C)=O)[C@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@H](O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]7[C@@H](NC(C)=O)[C@H](O[C@@H]8[C@@H](O)[C@H](C)O[C@H](O[C@H]9[C@H](O)[C@@H](NC(C)=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)O[C@@H]9CO)[C@@H]8O)O[C@@H]8CO[C@@](C)(C(=O)[O-])O[C@@H]78)O[C@@H]6CO)[C@@H]5O)O[C@@H]5CO[C@@](C)(C(=O)[O-])O[C@@H]45)O[C@@H]3CO)[C@@H]2O)O[C@@H]2CO[C@@](C)(C(=O)[O-])O[C@@H]12 MNX internals InChI (mnx) InChI=1/C131H208N6O55P2/c1-64(2)36-26-37-65(3)38-27-39-66(4)40-28-41-67(5)42-29-43-68(6)44-30-45-69(7)46-31-47-70(8)48-32-49-71(9)50-33-51-72(10)52-34-53-73(11)54-35-55-74(12)56-57-170-193(162,163)192-194(164,165)191-122-92(134-80(18)143)101(152)107(86(60-140)176-122)182-125-104(155)116(98(149)77(15)173-125)187-121-95(137-83(21)146)113(110-89(179-121)63-169-131(24,190-110)128(160)161)184-118-91(133-79(17)142)100(151)106(85(59-139)175-118)181-124-103(154)115(97(148)76(14)172-124)186-120-94(136-82(20)145)112(109-88(178-120)62-168-130(23,189-109)127(158)159)183-117-90(132-78(16)141)99(150)105(84(58-138)174-117)180-123-102(153)114(96(147)75(13)171-123)185-119-93(135-81(19)144)111(166-25)108-87(177-119)61-167-129(22,188-108)126(156)157/h36,38,40,42,44,46,48,50,52,54,56,75-77,84-125,138-140,147-155H,26-35,37,39,41,43,45,47,49,51,53,55,57-63H2,1-25H3,(H,132,141)(H,133,142)(H,134,143)(H,135,144)(H,136,145)(H,137,146)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)/b65-38+,66-40+,67-42-,68-44-,69-46-,70-48-,71-50-,72-52-,73-54-,74-56-/t75-,76-,77-,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+,129+,130+,131+/m0/s1/i25+1 SMILES (mnx) [CH3:1][C:64]([CH3:2])=[CH:36][CH2:26][CH2:37]/[C:65]([CH3:3])=[CH:38]/[CH2:27][CH2:39]/[C:66]([CH3:4])=[CH:40]/[CH2:28][CH2:41]/[C:67]([CH3:5])=[CH:42]\[CH2:29][CH2:43]/[C:68]([CH3:6])=[CH:44]\[CH2:30][CH2:45]/[C:69]([CH3:7])=[CH:46]\[CH2:31][CH2:47]/[C:70]([CH3:8])=[CH:48]\[CH2:32][CH2:49]/[C:71]([CH3:9])=[CH:50]\[CH2:33][CH2:51]/[C:72]([CH3:10])=[CH:52]\[CH2:34][CH2:53]/[C:73]([CH3:11])=[CH:54]\[CH2:35][CH2:55]/[C:74]([CH3:12])=[CH:56]\[CH2:57][O:170][P:193]([OH:162])(=[O:163])[O:192][P:194]([OH:164])(=[O:165])[O:191][C@@H:122]1[C@H:92]([N:134]=[C:80]([CH3:18])[OH:143])[C@@H:101]([OH:152])[C@H:107]([O:182][C@@H:125]2[C@H:104]([OH:155])[C@H:116]([O:187][C@H:121]3[C@H:95]([N:137]=[C:83]([CH3:21])[OH:146])[C@@H:113]([O:184][C@H:118]4[C@H:91]([N:133]=[C:79]([CH3:17])[OH:142])[C@@H:100]([OH:151])[C@H:106]([O:181][C@@H:124]5[C@H:103]([OH:154])[C@H:115]([O:186][C@H:120]6[C@H:94]([N:136]=[C:82]([CH3:20])[OH:145])[C@@H:112]([O:183][C@H:117]7[C@H:90]([N:132]=[C:78]([CH3:16])[OH:141])[C@@H:99]([OH:150])[C@H:105]([O:180][C@@H:123]8[C@H:102]([OH:153])[C@H:114]([O:185][C@H:119]9[C@H:93]([N:135]=[C:81]([CH3:19])[OH:144])[C@@H:111]([O:166][13CH3:25])[C@H:108]%10[C@@H:87]([CH2:61][O:167][C@@:129]([CH3:22])([C:126](=[O:156])[OH:157])[O:188]%10)[O:177]9)[C@@H:96]([OH:147])[C@H:75]([CH3:13])[O:171]8)[C@@H:84]([CH2:58][OH:138])[O:174]7)[C@H:109]7[C@@H:88]([CH2:62][O:168][C@@:130]([CH3:23])([C:127](=[O:158])[OH:159])[O:189]7)[O:178]6)[C@@H:97]([OH:148])[C@H:76]([CH3:14])[O:172]5)[C@@H:85]([CH2:59][OH:139])[O:175]4)[C@H:110]4[C@@H:89]([CH2:63][O:169][C@@:131]([CH3:24])([C:128](=[O:160])[OH:161])[O:190]4)[O:179]3)[C@@H:98]([OH:149])[C@H:77]([CH3:15])[O:173]2)[C@@H:86]([CH2:60][OH:140])[O:176]1

Parent-child relations graph

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