Core 1 glycan structure

Cross-references

GlyTouCan : G98689EK

GlyGen : G98689EK

ChEBI : 155511

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Composition

Hex:2 HexNAc:2 dHex:2

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IUPAC

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

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p--3b1D-Gal,p--3b1D-GlcNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--4a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-2DGalpb1-3[LFucpa1-4]DGlcpNAcb1-3DGalpb1-3DGalpNAca1-OH

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)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO)O)NC(=O)C)CO)O)CO)O)O)O

InCHI key

KPYMNYQJERGYGO-UGAQFVMOSA-N

InCHI

InChI=1S/C40H68N2O29/c1-9-19(49)24(54)27(57)37(61-9)67-30-16(8-46)66-36(70-33-23(53)15(7-45)64-39(29(33)59)68-31-17(41-11(3)47)35(60)63-14(6-44)22(31)52)18(42-12(4)48)32(30)69-40-34(26(56)21(51)13(5-43)65-40)71-38-28(58)25(55)20(50)10(2)62-38/h9-10,13-40,43-46,49-60H,5-8H2,1-4H3,(H,41,47)(H,42,48)/t9-,10-,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