Core 1 glycan structure

Cross-references

GlyTouCan : G47180UC

GlyGen : G47180UC

ChEBI : 151290

UniCarb-DB :

• 29
• 506
• 3057
• 3662

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Composition

Hex:1 HexNAc:1 dHex:1 NeuAc:1

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IUPAC

Fuc(a1-2)Gal(b1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-lgal-HEX-1:5|6:d
5b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
6s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(2+1)4d
4:1o(6+2)5d
5:5d(5+1)6n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

NCUMDCBLQVKESQ-ZDWYLKQOSA-N

InCHI

InChI=1S/C31H52N2O23/c1-8-17(40)21(44)23(46)28(51-8)55-26-22(45)19(42)13(6-35)53-29(26)54-24-16(33-10(3)37)27(47)52-14(20(24)43)7-50-31(30(48)49)4-11(38)15(32-9(2)36)25(56-31)18(41)12(39)5-34/h8,11-29,34-35,38-47H,4-7H2,1-3H3,(H,32,36)(H,33,37)(H,48,49)/t8-,11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22-,23-,24+,25+,26+,27-,28-,29-,31+/m0/s1