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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][CH2:2][13C@@H:3]1[CH2:4][CH:5]([CH2:6][C@@H:7]2[C@H:8]([CH3:9])[C@H:10]([O:110][OH:111])[CH2:11][C@H:12]([CH2:13][C@@H:14]3[C@H:15]([CH3:16])[C@H:17]([CH2:18][C:19](=[CH2:20])[CH3:21])[C@H:22]([CH2:23][C@@H:24]4[C@@H:25]([CH3:26])[C@@H:27]([CH2:28][C@@H:29]5[C@@H:30]([CH3:31])[C@H:32]([CH2:33][C:34](=[CH2:35])[CH3:36])[C@@H:37]([CH2:38][C@H:39]6[C@@H:40]([CH3:41])[C@H:42]([CH2:43][C@@H:44]7[C@@H:45]([CH3:46])[C@H:47]([CH3:48])[C@@H:49]([CH2:50][CH2:51][C@@H:52]([CH2:53][C:54]([CH3:55])=[CH2:56])[C@H:57]([CH3:58])/[CH:59]=[CH:60]\[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][N:75]7[NH:76][NH2:77])[NH:78][O@:79]([O:80][OH:81])[O@@:82]6[OH:83])[O:84][O:85]5[O:86][OH:87])[O:88][O@:89]([O:90][OH:91])[O@@:92]4[OH:93])[O:94][O:95]3[O:96][OH:97])[O:98]2[O:99][O@:100]2[O:101][O@:102]([OH:103])[O@:104]([OH:105])[O@@:106]([OH:107])[O@:108]2[OH:109])[O@:112]([O:113][O:114](=[O:115])[OH:116])[O@:117]([OH:118])[O@:119]1[OH:120]
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