Core 1 glycan structure
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3D structure from GLYCAM
Cross-references
GlyTouCan : G17126MK
GlyGen : G17126MK
ChEBI : 147574
Composition
IUPAC
Gal(b1-3)GlcNAc(b1-3)Gal(b1-3)GalNAc
GlycoCT
RES 1b:a-dgal-HEX-1:5 2s:n-acetyl 3b:b-dgal-HEX-1:5 4b:b-dglc-HEX-1:5 5s:n-acetyl 6b:b-dgal-HEX-1:5 LIN 1:1d(2+1)2n 2:1o(3+1)3d 3:3o(3+1)4d 4:4d(2+1)5n 5:4o(3+1)6d
GWS
freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-GlcNAc,p--3b1D-Gal,p$MONO,Und,0,0,freeEnd
Glycam
DGalpb1-3DGlcpNAcb1-3DGalpb1-3DGalpNAca1-OH
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O
InCHI key
BGNMOHFJOGAMFR-BYRWMJHASA-N
InCHI
InChI=1S/C28H48N2O21/c1-7(35)29-13-22(16(38)10(4-32)45-25(13)44)49-28-21(43)24(18(40)12(6-34)48-28)51-26-14(30-8(2)36)23(17(39)11(5-33)46-26)50-27-20(42)19(41)15(37)9(3-31)47-27/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,24+,25+,26+,27+,28+/m1/s1