No-core glycan structure

Cross-references

GlyTouCan : G67026KG

GlyGen : G67026KG

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(b1-3)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(3+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--3b1D-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]([C@H](OC([C@@H]7O)O)CO)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

IDJZBJVGSJQKFC-FIJUWSEGSA-N

InCHI

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