Core 4 glycan structure

Cross-references

GlyTouCan : G25955UH

GlyGen : G25955UH

ChEBI : 148584

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Composition

Hex:2 HexNAc:3 dHex:1

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IUPAC

Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)[Gal(b1-3)GlcNAc(b1-3)]GalNAc

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
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
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(3+1)8d
8:6o(4+1)9d

GWS

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

Glycam

DGalpb1-3DGlcpNAcb1-3[DGalpb1-4[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)O)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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O

InCHI key

XSFNUIQISNLZNP-KFARLTOVSA-N

InCHI

InChI=1S/C42H71N3O30/c1-10-22(53)27(58)30(61)40(66-10)75-36-21(45-13(4)52)38(71-17(8-49)33(36)72-41-31(62)28(59)23(54)14(5-46)69-41)65-9-18-26(57)34(19(37(64)67-18)43-11(2)50)73-39-20(44-12(3)51)35(25(56)16(7-48)68-39)74-42-32(63)29(60)24(55)15(6-47)70-42/h10,14-42,46-49,53-64H,5-9H2,1-4H3,(H,43,50)(H,44,51)(H,45,52)/t10-,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-/m0/s1