Core 2 glycan structure

Cross-references

GlyTouCan : G11846US

GlyGen : G11846US

ChEBI : 147679

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Composition

Hex:1 HexNAc:3 dHex:1

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IUPAC

Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-6)[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:a-lgal-HEX-1:5|6:d
7b:b-dgal-HEX-1:5
8s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(6+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:4o(4+1)7d
7:7d(2+1)8n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-GalNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpb1-3[DGalpNAcb1-4[LFucpa1-3]DGlcpNAcb1-6]DGalpNAca1-OH

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)NC(=O)C)CO)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)O)O

InCHI key

GYCRKMYWHOEXIF-JOTCVJAESA-N

InCHI

InChI=1S/C36H61N3O25/c1-9-20(46)25(51)27(53)35(57-9)64-31-19(39-12(4)45)33(61-15(7-42)29(31)62-34-17(37-10(2)43)24(50)21(47)13(5-40)59-34)56-8-16-23(49)30(18(32(55)58-16)38-11(3)44)63-36-28(54)26(52)22(48)14(6-41)60-36/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-/m0/s1