No-core glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G73578JC
GlyGen : G73578JC
ChEBI : 17725
Composition
IUPAC
NeuAc(a2-6)Gal(b1-4)GlcNAc
GlycoCT
RES 1b:b-dglc-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d 5s:n-acetyl LIN 1:1d(2+1)2n 2:1o(4+1)3d 3:3o(6+2)4d 4:4d(5+1)5n
GWS
freeEnd--?b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)O)O)O)O
InCHI key
RPSBVJXBTXEJJG-LURNZOHQSA-N
InCHI
InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1