Core 1 glycan structure

Cross-references

GlyTouCan : G64851ON

GlyGen : G64851ON

ChEBI : 152953

UniCarb-DB :

• 2605

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Composition

Hex:1 HexNAc:1 NeuGc:1

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IUPAC

Gal(b1-3)[NeuGc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-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-glycolyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(6+2)4d
4:4d(5+1)5n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p)--6a2D-NeuGc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

InCHI key

QQMCUTCFAKFSMM-QOCALNOCSA-N

InCHI

InChI=1S/C25H42N2O20/c1-7(31)26-14-20(46-23-19(39)18(38)16(36)10(4-29)45-23)17(37)11(44-22(14)40)6-43-25(24(41)42)2-8(32)13(27-12(34)5-30)21(47-25)15(35)9(33)3-28/h8-11,13-23,28-30,32-33,35-40H,2-6H2,1H3,(H,26,31)(H,27,34)(H,41,42)/t8-,9+,10+,11+,13+,14+,15+,16-,17-,18-,19+,20+,21+,22-,23-,25+/m0/s1