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I-antigen

PropertiesImage
MNX_IDMNXM11849 Image of MNXM11849
referencebiggM:galacglcgalacglcgal14acglcgalgluside_hs
formulaC73H125N4O43*
global charge0
mol weight 
InChIKey 
InChI 
SMILES[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(90)33(75-29(2)86)27-106-70-58(103)55(100)64(41(26-85)114-70)119-73-59(104)65(48(93)37(22-81)110-73)120-68-45(78-32(5)89)52(97)63(40(25-84)113-68)118-74-60(105)66(121-69-44(77-31(4)88)51(96)62(39(24-83)112-69)117-72-57(102)54(99)47(92)36(21-80)109-72)49(94)42(115-74)28-107-67-43(76-30(3)87)50(95)61(38(23-82)111-67)116-71-56(101)53(98)46(91)35(20-79)108-71/h18-19,33-74,79-85,90-105H,6-17,20-28H2,1-5H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)/b19-18+/t33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,66-,67+,68-,69-,70+,71-,72-,73-,74-/m0/s1/i2+1 Image of MNXM11849
SMILES (mnx)[CH3:1][13CH2:2][C@H:3]1[CH2:4][C@@H:5]([CH2:6][C@@H:7]2[C@@H:8]([CH3:9])[C@H:10]([CH2:11][C:12](=[CH2:13])[CH3:14])[C@H:15]([CH2:16][CH2:17][C@H:18]3[CH2:19][CH:20]([CH2:21][C@H:22]4[CH:23]([CH3:24])[C@@H:25]([CH2:26][C:27](=[CH2:28])[CH3:29])[C@H:30]([CH2:31][CH:32]5[C@@H:33]([CH3:34])[C@@H:35]([CH2:36][C@H:37]6[CH:38]([CH3:39])[C@H:40]([CH3:41])[C@@H:42]([CH2:43][CH2:44][C@@H:45]([CH2:46][C:47]([CH3:48])=[CH2:49])[CH:50]([CH3:51])/[CH:52]=[CH:53]/[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][C@@H:68]6[CH2:69][CH3:70])[CH2:71][C@H:72]([CH2:73][CH3:74])[N:75]5[NH2:76])[NH:77][N:78]4[O:79][OH:80])[O@:81]([OH:82])[O@:83]([O:84][O@:85]4[O:86][O:87]([O:88][OH:89])[O@@:90]([O:91][O@:92]5[O:93][O@:94]([O:95][OH:96])[O:97]([OH:98])[O@@:99]([OH:100])[O@@:101]5[OH:102])[O@:103]([OH:104])[O@@:105]4[O:106][O:107](=[O:108])[OH:109])[O@:110]3[OH:111])[O:112][O:113]2[O:114][OH:115])[O@:116]([OH:117])[O@@:118]([OH:119])[O@:120]1[OH:121]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:galacglcgalacglcgal14acglcgalgluside_hs
biggM:galacglcgalacglcgal14acglcgalgluside_hs 		I-antigen

biggM:M_galacglcgalacglcgal14acglcgalgluside_hs 		secondary/obsolete/fantasy identifier