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(Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1

PropertiesImage
MNX_IDMNXM1104473 Image of MNXM1104473
referencebiggM:acgalfucgalacglcgal14acglcgalgluside_hs
formulaC73H125N4O42*
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](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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O[C@@H]6O[C@@H](C)[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/C74H128N4O42/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(90)34(75-30(3)86)28-105-70-57(102)55(100)62(42(27-85)113-70)115-73-59(104)64(49(94)38(23-81)109-73)118-68-44(77-32(5)88)52(97)60(40(25-83)111-68)114-72-58(103)63(48(93)37(22-80)108-72)117-69-45(78-33(6)89)53(98)61(41(26-84)112-69)116-74-66(120-71-56(101)54(99)46(91)29(2)106-71)65(50(95)39(24-82)110-74)119-67-43(76-31(4)87)51(96)47(92)36(21-79)107-67/h19-20,29,34-74,79-85,90-104H,7-18,21-28H2,1-6H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)/b20-19+/t29-,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/i3+1 Image of MNXM1104473
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:20]/[C@H:35]([C@H:34]([CH2:28][O:105][C@H:70]1[C@H:57]([OH:102])[C@@H:55]([OH:100])[C@H:62]([O:115][C@H:73]2[C@H:59]([OH:104])[C@@H:64]([O:118][C@H:68]3[C@H:44]([N:77]=[C:32]([CH3:5])[OH:88])[C@@H:52]([OH:97])[C@H:60]([O:114][C@H:72]4[C@H:58]([OH:103])[C@@H:63]([O:117][C@H:69]5[C@H:45]([N:78]=[C:33]([CH3:6])[OH:89])[C@@H:53]([OH:98])[C@H:61]([O:116][C@H:74]6[C@H:66]([O:120][C@H:71]7[C@@H:56]([OH:101])[C@H:54]([OH:99])[C@H:46]([OH:91])[C@H:29]([CH3:2])[O:106]7)[C@@H:65]([O:119][C@@H:67]7[C@H:43]([N:76]=[C:31]([CH3:4])[OH:87])[C@@H:51]([OH:96])[C@@H:47]([OH:92])[C@@H:36]([CH2:21][OH:79])[O:107]7)[C@@H:50]([OH:95])[C@@H:39]([CH2:24][OH:82])[O:110]6)[C@@H:41]([CH2:26][OH:84])[O:112]5)[C@@H:48]([OH:93])[C@@H:37]([CH2:22][OH:80])[O:108]4)[C@@H:40]([CH2:25][OH:83])[O:111]3)[C@@H:49]([OH:94])[C@@H:38]([CH2:23][OH:81])[O:109]2)[C@@H:42]([CH2:27][OH:85])[O:113]1)[N:75]=[C:30]([13CH3:3])[OH:86])[OH:90]
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:acgalfucgalacglcgal14acglcgalgluside_hs
biggM:acgalfucgalacglcgal14acglcgalgluside_hs 		(Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1

biggM:M_acgalfucgalacglcgal14acglcgalgluside_hs 		secondary/obsolete/fantasy identifier