No-core glycan structure

Cross-references

GlyTouCan : G99510WI

GlyGen : G99510WI

ChEBI : 155708

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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(a1-3)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(3+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--3a1Man--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)O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)O)CO)NC(=O)C)O)O)O

InCHI key

MQPGXYOZMAIPND-NGABYAQJSA-N

InCHI

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