No-core glycan structure

Cross-references

GlyTouCan : G92058BI

GlyGen : G92058BI

ChEBI : -

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Composition

Hex:3 HexNAc:2 dHex:2

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IUPAC

Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-4)Glc

GlycoCT

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

GWS

freeEnd--??1D-Glc,p--4b1D-GlcNAc,p--4b1D-Gal,p--3b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--2a1L-Fuc,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[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)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

KQHOBBVCSUFFJO-MNZUBZQISA-N

InCHI

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