Core 5 glycan structure

Cross-references

GlyTouCan : G81016SV

GlyGen : G81016SV

ChEBI : 153938

UniCarb-DB :

• 3045
• 3655

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Composition

HexNAc:2 NeuAc:1

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IUPAC

GalNAc(a1-3)[NeuAc(a2-6)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:a-dgal-HEX-1:5
4s:n-acetyl
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
3:3d(2+1)4n
4:1o(6+2)5d
5:5d(5+1)6n

GWS

freeEnd--?a1D-GalNAc,p(--3a1D-GalNAc,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)NC(=O)C)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O

InCHI key

RMVAERHREFAXLV-DNJNZAMGSA-N

InCHI

InChI=1S/C27H45N3O19/c1-8(33)28-15-11(36)4-27(26(43)44,49-23(15)18(38)12(37)5-31)45-7-14-20(40)22(17(24(42)46-14)30-10(3)35)48-25-16(29-9(2)34)21(41)19(39)13(6-32)47-25/h11-25,31-32,36-42H,4-7H2,1-3H3,(H,28,33)(H,29,34)(H,30,35)(H,43,44)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20-,21+,22+,23+,24-,25+,27+/m0/s1