Truncated glycan structure

Cross-references

GlyTouCan : G14561VC

GlyGen : G14561VC

ChEBI : 147711

Glycologue : [S3L3[f4]Y3L]

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Composition

Hex:2 HexNAc:1 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-3)[Fuc(a1-4)]GlcNAc(b1-3)Gal

GlycoCT

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

GWS

freeEnd--??1D-Gal,p--3b1D-GlcNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--4a1L-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](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](OC([C@@H]5O)O)CO)O)CO)O)O)O

InCHI key

RXKPKJULQOSOCW-VPTQWTQUSA-N

InCHI

InChI=1S/C37H62N2O28/c1-9-19(48)23(52)24(53)34(59-9)63-27-16(8-43)62-33(65-30-21(50)14(6-41)60-32(56)25(30)54)18(39-11(3)45)29(27)64-35-26(55)31(22(51)15(7-42)61-35)67-37(36(57)58)4-12(46)17(38-10(2)44)28(66-37)20(49)13(47)5-40/h9,12-35,40-43,46-56H,4-8H2,1-3H3,(H,38,44)(H,39,45)(H,57,58)/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-,37-/m0/s1