No-core glycan structure

Cross-references

GlyTouCan : G06616KY

GlyGen : G06616KY

ChEBI : -

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Composition

Hex:3 HexNAc:2 dHex:2

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IUPAC

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

GlycoCT

RES
1b:x-dglc-HEX-1:5
2b:b-dglc-HEX-1:5
3s:n-acetyl
4b:a-lgal-HEX-1:5|6:d
5b:b-dgal-HEX-1:5
6b:b-dglc-HEX-1:5
7s:n-acetyl
8b:a-lgal-HEX-1:5|6:d
9b:b-dgal-HEX-1:5
LIN
1:1o(4+1)2d
2:2d(2+1)3n
3:2o(3+1)4d
4:2o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(3+1)8d
8:6o(4+1)9d

GWS

freeEnd--??1D-Glc,p--4b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3b1D-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]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O[C@H]6[C@H]([C@@H]([C@@H]([C@@H](O6)C)O)O)O)NC(=O)C)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)CO)CO)O)NC(=O)C)O)O)O

InCHI key

IETNZBKCNGUIJY-IEYNLIIHSA-N

InCHI

InChI=1S/C46H78N2O34/c1-10-21(56)25(60)30(65)43(70-10)80-37-19(47-12(3)54)41(77-34-16(7-51)72-40(69)29(64)28(34)63)75-18(9-53)36(37)79-46-33(68)39(24(59)15(6-50)74-46)82-42-20(48-13(4)55)38(81-44-31(66)26(61)22(57)11(2)71-44)35(17(8-52)76-42)78-45-32(67)27(62)23(58)14(5-49)73-45/h10-11,14-46,49-53,56-69H,5-9H2,1-4H3,(H,47,54)(H,48,55)/t10-,11-,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?,41-,42-,43-,44-,45-,46-/m0/s1