No-core glycan structure

Cross-references

GlyTouCan : G32715TG

GlyGen : G32715TG

ChEBI : 149287

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Composition

Hex:3 HexNAc:2 dHex:1

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-4)Man(a1-6)Man(b1-4)GlcNAc

GlycoCT

RES
1b:x-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:a-lgal-HEX-1:5|6:d
8b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(6+1)4d
4:4o(4+1)5d
5:5d(2+1)6n
6:5o(3+1)7d
7:5o(4+1)8d

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man--6a1Man--4b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,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](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@@H]4[C@H](O[C@@H]([C@H]([C@H]4O)O)OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)NC(=O)C)O)CO)O)O)O)CO)NC(=O)C)O)O)O

InCHI key

FOBLHAVQKJYINY-QXLHAAAKSA-N

InCHI

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