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Gal-GlcNAc-Gal globoside (homo sapiens)

PropertiesImage
MNX_IDMNXM8629 Image of MNXM8629
referencebiggM:galacglcgalgbside_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 MNXM8629
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:27][O:106][C@H:70]1[C@H:58]([OH:103])[C@@H:55]([OH:100])[C@H:64]([O:119][C@H:73]2[C@H:59]([OH:104])[C@@H:65]([O:120][C@H:68]3[C@H:45]([N:78]=[C:32]([CH3:5])[OH:89])[C@@H:52]([OH:97])[C@H:63]([O:118][C@H:74]4[C@H:60]([OH:105])[C@@H:66]([O:121][C@H:69]5[C@H:44]([N:77]=[C:31]([CH3:4])[OH:88])[C@@H:51]([OH:96])[C@H:62]([O:117][C@H:72]6[C@H:57]([OH:102])[C@@H:54]([OH:99])[C@@H:47]([OH:92])[C@@H:36]([CH2:21][OH:80])[O:109]6)[C@@H:39]([CH2:24][OH:83])[O:112]5)[C@@H:49]([OH:94])[C@@H:42]([CH2:28][O:107][C@H:67]5[C@H:43]([N:76]=[C:30]([CH3:3])[OH:87])[C@@H:50]([OH:95])[C@H:61]([O:116][C@H:71]6[C@H:56]([OH:101])[C@@H:53]([OH:98])[C@@H:46]([OH:91])[C@@H:35]([CH2:20][OH:79])[O:108]6)[C@@H:38]([CH2:23][OH:82])[O:111]5)[O:115]4)[C@@H:40]([CH2:25][OH:84])[O:113]3)[C@@H:48]([OH:93])[C@@H:37]([CH2:22][OH:81])[O:110]2)[C@@H:41]([CH2:26][OH:85])[O:114]1)[N:75]=[C:29]([13CH3:2])[OH:86])[OH:90]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:galacglcgalgbside_hs
biggM:galacglcgalgbside_hs 		Gal-GlcNAc-Gal globoside (homo sapiens)

biggM:M_galacglcgalgbside_hs 		secondary/obsolete/fantasy identifier