Shigella boydii serotype 6 O antigen

Properties Image MNX_ID MNXM1134122 reference metacycM:CPD-24151 formula C151H239N3O85P2* global charge -5 mol weight   InChIKey   InChI   SMILES [*]O[C@@H]1[C@@H](O)[C@@H](OC[C@H]2O[C@H](O[C@@H]3[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@@H](O)[C@@H](OC[C@H]6O[C@H](O[C@@H]7[C@@H](O[C@H]8[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]9[C@@H](O)[C@@H](OC[C@H]%10O[C@H](O[C@@H]%11[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)O[C@H](CO)[C@@H](O)[C@@H]%11O)[C@@H](O)[C@@H](O)[C@@H]%10O)O[C@H](CO)[C@@H]9O[C@@H]9O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]9O)[C@@H]8NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H](O)[C@@H]6O)O[C@H](CO)[C@@H]5O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C152H247N3O85P2/c1-61(2)27-17-28-62(3)29-18-30-63(4)31-19-32-64(5)33-20-34-65(6)35-21-36-66(7)37-22-38-67(8)39-23-40-68(9)41-24-42-69(10)43-25-44-70(11)45-26-46-71(12)47-48-212-241(204,205)240-242(206,207)239-140-89(155-74(15)167)125(98(176)80(54-161)215-140)230-152-134(107(185)92(170)77(51-158)218-152)238-146-113(191)101(179)95(173)86(224-146)60-211-143-119(197)128(122(83(57-164)221-143)227-149-116(194)104(182)110(188)131(235-149)137(202)203)232-139-88(154-73(14)166)124(97(175)79(53-160)214-139)229-151-133(106(184)91(169)76(50-157)217-151)237-145-112(190)100(178)94(172)85(223-145)59-210-142-118(196)127(121(82(56-163)220-142)226-148-115(193)103(181)109(187)130(234-148)136(200)201)231-138-87(153-72(13)165)123(96(174)78(52-159)213-138)228-150-132(105(183)90(168)75(49-156)216-150)236-144-111(189)99(177)93(171)84(222-144)58-209-141-117(195)126(208-16)120(81(55-162)219-141)225-147-114(192)102(180)108(186)129(233-147)135(198)199/h27,29,31,33,35,37,39,41,43,45,47,75-134,138-152,156-164,168-197H,17-26,28,30,32,34,36,38,40,42,44,46,48-60H2,1-16H3,(H,153,165)(H,154,166)(H,155,167)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)/b62-29+,63-31+,64-33-,65-35-,66-37-,67-39-,68-41-,69-43-,70-45-,71-47-/t75-,76-,77-,78-,79-,80-,81-,82-,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+,138-,139+,140-,141+,142+,143+,144-,145-,146-,147-,148-,149-,150+,151-,152-/m1/s1/i16+1 SMILES (mnx) [CH3:1][C:61]([CH3:2])=[CH:27][CH2:17][CH2:28]/[C:62]([CH3:3])=[CH:29]/[CH2:18][CH2:30]/[C:63]([CH3:4])=[CH:31]/[CH2:19][CH2:32]/[C:64]([CH3:5])=[CH:33]\[CH2:20][CH2:34]/[C:65]([CH3:6])=[CH:35]\[CH2:21][CH2:36]/[C:66]([CH3:7])=[CH:37]\[CH2:22][CH2:38]/[C:67]([CH3:8])=[CH:39]\[CH2:23][CH2:40]/[C:68]([CH3:9])=[CH:41]\[CH2:24][CH2:42]/[C:69]([CH3:10])=[CH:43]\[CH2:25][CH2:44]/[C:70]([CH3:11])=[CH:45]\[CH2:26][CH2:46]/[C:71]([CH3:12])=[CH:47]\[CH2:48][O:212][P:241]([OH:204])(=[O:205])[O:240][P:242]([OH:206])(=[O:207])[O:239][C@@H:140]1[C@H:89]([N:155]=[C:74]([CH3:15])[OH:167])[C@@H:125]([O:230][C@@H:152]2[C@@H:134]([O:238][C@@H:146]3[C@@H:113]([OH:191])[C@@H:101]([OH:179])[C@H:95]([OH:173])[C@@H:86]([CH2:60][O:211][C@@H:143]4[C@H:119]([OH:197])[C@@H:128]([O:232][C@H:139]5[C@H:88]([N:154]=[C:73]([CH3:14])[OH:166])[C@@H:124]([O:229][C@@H:151]6[C@@H:133]([O:237][C@@H:145]7[C@@H:112]([OH:190])[C@@H:100]([OH:178])[C@H:94]([OH:172])[C@@H:85]([CH2:59][O:210][C@@H:142]8[C@H:118]([OH:196])[C@@H:127]([O:231][C@@H:138]9[C@H:87]([N:153]=[C:72]([CH3:13])[OH:165])[C@@H:123]([O:228][C@H:150]%10[C@@H:132]([O:236][C@@H:144]%11[C@@H:111]([OH:189])[C@@H:99]([OH:177])[C@H:93]([OH:171])[C@@H:84]([CH2:58][O:209][C@@H:141]%12[C@H:117]([OH:195])[C@@H:126]([O:208][13CH3:16])[C@@H:120]([O:225][C@H:147]%13[C@H:114]([OH:192])[C@@H:102]([OH:180])[C@H:108]([OH:186])[C@@H:129]([C:135](=[O:198])[OH:199])[O:233]%13)[C@@H:81]([CH2:55][OH:162])[O:219]%12)[O:222]%11)[C@@H:105]([OH:183])[C@H:90]([OH:168])[C@@H:75]([CH2:49][OH:156])[O:216]%10)[C@@H:96]([OH:174])[C@@H:78]([CH2:52][OH:159])[O:213]9)[C@@H:121]([O:226][C@H:148]9[C@H:115]([OH:193])[C@@H:103]([OH:181])[C@H:109]([OH:187])[C@@H:130]([C:136](=[O:200])[OH:201])[O:234]9)[C@@H:82]([CH2:56][OH:163])[O:220]8)[O:223]7)[C@@H:106]([OH:184])[C@H:91]([OH:169])[C@@H:76]([CH2:50][OH:157])[O:217]6)[C@@H:97]([OH:175])[C@@H:79]([CH2:53][OH:160])[O:214]5)[C@@H:122]([O:227][C@H:149]5[C@H:116]([OH:194])[C@@H:104]([OH:182])[C@H:110]([OH:188])[C@@H:131]([C:137](=[O:202])[OH:203])[O:235]5)[C@@H:83]([CH2:57][OH:164])[O:221]4)[O:224]3)[C@@H:107]([OH:185])[C@H:92]([OH:170])[C@@H:77]([CH2:51][OH:158])[O:218]2)[C@@H:98]([OH:176])[C@@H:80]([CH2:54][OH:161])[O:215]1

Parent-child relations graph

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