Escherichia coli serotype O:49 O antigen

Properties Image MNX_ID MNXM1134144 reference metacycM:CPD-24434 formula C157H254N9O67P2* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@H]5[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](O)[C@H](O[C@H]8[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@H]9[C@@H](O[C@@H]%10[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]%11[C@@H](O)[C@@H](O)[C@H](O[C@H]%12[C@H](O)[C@@H](COC(C)=O)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]%11C)O[C@@H]%10CO)O[C@H](C)[C@@H](NC(=O)C[C@H](C)O)[C@@H]9O)[C@@H]8NC(C)=O)O[C@H]7C)O[C@@H]6CO)O[C@H](C)[C@@H](NC(=O)C[C@H](C)O)[C@@H]5O)[C@@H]4NC(C)=O)O[C@H]3C)O[C@@H]2CO)O[C@H](C)[C@@H](NC(=O)C[C@H](C)O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C158H259N9O67P2/c1-73(2)42-32-43-74(3)44-33-45-75(4)46-34-47-76(5)48-35-49-77(6)50-36-51-78(7)52-37-53-79(8)54-38-55-80(9)56-39-57-81(10)58-40-59-82(11)60-41-61-83(12)62-63-209-235(201,202)234-236(203,204)233-152-119(164-98(27)179)143(122(188)107(221-152)72-208-101(30)182)230-155-134(200)131(197)137(92(21)215-155)224-149-116(161-95(24)176)128(194)140(104(69-170)218-149)227-158-146(125(191)113(89(18)212-158)167-110(185)66-86(15)173)232-151-118(163-97(26)178)142(121(187)106(220-151)71-207-100(29)181)229-154-133(199)130(196)136(91(20)214-154)223-148-115(160-94(23)175)127(193)139(103(68-169)217-148)226-157-145(124(190)112(88(17)211-157)166-109(184)65-85(14)172)231-150-117(162-96(25)177)141(120(186)105(219-150)70-206-99(28)180)228-153-132(198)129(195)135(90(19)213-153)222-147-114(159-93(22)174)126(192)138(102(67-168)216-147)225-156-144(205-31)123(189)111(87(16)210-156)165-108(183)64-84(13)171/h42,44,46,48,50,52,54,56,58,60,62,84-92,102-107,111-158,168-173,186-200H,32-41,43,45,47,49,51,53,55,57,59,61,63-72H2,1-31H3,(H,159,174)(H,160,175)(H,161,176)(H,162,177)(H,163,178)(H,164,179)(H,165,183)(H,166,184)(H,167,185)(H,201,202)(H,203,204)/b74-44+,75-46+,76-48-,77-50-,78-52-,79-54-,80-56-,81-58-,82-60-,83-62-/t84-,85-,86-,87+,88+,89+,90-,91-,92-,102+,103+,104+,105+,106+,107+,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+/m0/s1/i31+1 SMILES (mnx) [CH3:1][C:73]([CH3:2])=[CH:42][CH2:32][CH2:43]/[C:74]([CH3:3])=[CH:44]/[CH2:33][CH2:45]/[C:75]([CH3:4])=[CH:46]/[CH2:34][CH2:47]/[C:76]([CH3:5])=[CH:48]\[CH2:35][CH2:49]/[C:77]([CH3:6])=[CH:50]\[CH2:36][CH2:51]/[C:78]([CH3:7])=[CH:52]\[CH2:37][CH2:53]/[C:79]([CH3:8])=[CH:54]\[CH2:38][CH2:55]/[C:80]([CH3:9])=[CH:56]\[CH2:39][CH2:57]/[C:81]([CH3:10])=[CH:58]\[CH2:40][CH2:59]/[C:82]([CH3:11])=[CH:60]\[CH2:41][CH2:61]/[C:83]([CH3:12])=[CH:62]\[CH2:63][O:209][P:235]([OH:201])(=[O:202])[O:234][P:236]([OH:203])(=[O:204])[O:233][C@@H:152]1[C@H:119]([N:164]=[C:98]([CH3:27])[OH:179])[C@@H:143]([O:230][C@H:155]2[C@H:134]([OH:200])[C@H:131]([OH:197])[C@@H:137]([O:224][C@H:149]3[C@H:116]([N:161]=[C:95]([CH3:24])[OH:176])[C@@H:128]([OH:194])[C@@H:140]([O:227][C@@H:158]4[C@H:146]([O:232][C@H:151]5[C@H:118]([N:163]=[C:97]([CH3:26])[OH:178])[C@@H:142]([O:229][C@H:154]6[C@H:133]([OH:199])[C@H:130]([OH:196])[C@@H:136]([O:223][C@H:148]7[C@H:115]([N:160]=[C:94]([CH3:23])[OH:175])[C@@H:127]([OH:193])[C@@H:139]([O:226][C@@H:157]8[C@H:145]([O:231][C@H:150]9[C@H:117]([N:162]=[C:96]([CH3:25])[OH:177])[C@@H:141]([O:228][C@H:153]%10[C@H:132]([OH:198])[C@H:129]([OH:195])[C@@H:135]([O:222][C@H:147]%11[C@H:114]([N:159]=[C:93]([CH3:22])[OH:174])[C@@H:126]([OH:192])[C@@H:138]([O:225][C@@H:156]%12[C@H:144]([O:205][13CH3:31])[C@@H:123]([OH:189])[C@H:111]([N:165]=[C:108]([CH2:64][C@H:84]([CH3:13])[OH:171])[OH:183])[C@@H:87]([CH3:16])[O:210]%12)[C@@H:102]([CH2:67][OH:168])[O:216]%11)[C@H:90]([CH3:19])[O:213]%10)[C@H:120]([OH:186])[C@@H:105]([CH2:70][O:206][C:99]([CH3:28])=[O:180])[O:219]9)[C@@H:124]([OH:190])[C@H:112]([N:166]=[C:109]([CH2:65][C@H:85]([CH3:14])[OH:172])[OH:184])[C@@H:88]([CH3:17])[O:211]8)[C@@H:103]([CH2:68][OH:169])[O:217]7)[C@H:91]([CH3:20])[O:214]6)[C@H:121]([OH:187])[C@@H:106]([CH2:71][O:207][C:100]([CH3:29])=[O:181])[O:220]5)[C@@H:125]([OH:191])[C@H:113]([N:167]=[C:110]([CH2:66][C@H:86]([CH3:15])[OH:173])[OH:185])[C@@H:89]([CH3:18])[O:212]4)[C@@H:104]([CH2:69][OH:170])[O:218]3)[C@H:92]([CH3:21])[O:215]2)[C@H:122]([OH:188])[C@@H:107]([CH2:72][O:208][C:101]([CH3:30])=[O:182])[O:221]1

Parent-child relations graph

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