Core 1 glycan structure

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O-Linked / Core 1 (avg mass : 935.8857)

3D structure from GLYCAM

Cross-references

GlyTouCan : G18472TI

GlyGen : G18472TI

ChEBI : 147912


Composition

Hex:1 HexNAc:3 dHex:1


IUPAC

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

GlycoCT

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

GWS

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

Glycam

DGlcpNAca1-3DGalpNAca1-3[LFucpa1-2]DGalpb1-3DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O)NC(=O)C)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)NC(=O)C)O)O)O

InCHI key

GPDDTUALRJQRKM-AOCPYEECSA-N

InCHI

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