Core 2 glycan structure

Cross-references

GlyTouCan : G94595ZZ

GlyGen : G94595ZZ

ChEBI : 155173

UniCarb-DB :

• 2967

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Composition

Hex:3 HexNAc:2 dHex:1

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IUPAC

Fuc(a1-2)[Gal(a1-3)]Gal(b1-4)GlcNAc(b1-6)[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
7b:a-lgal-HEX-1:5|6:d
8b:a-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(6+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(2+1)7d
7:6o(3+1)8d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--2a1L-Fuc,p)--3a1D-Gal,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-3[DGalpa1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)CO)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O

InCHI key

ZMKRHNCEAKAOMX-HQZNHMBASA-N

InCHI

InChI=1S/C40H68N2O30/c1-9-19(49)25(55)28(58)37(63-9)72-34-33(71-39-30(60)27(57)21(51)13(5-44)66-39)22(52)14(6-45)67-40(34)69-31-15(7-46)68-36(17(24(31)54)41-10(2)47)62-8-16-23(53)32(18(35(61)64-16)42-11(3)48)70-38-29(59)26(56)20(50)12(4-43)65-38/h9,12-40,43-46,49-61H,4-8H2,1-3H3,(H,41,47)(H,42,48)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-,29+,30+,31+,32+,33-,34+,35-,36+,37-,38-,39+,40-/m0/s1