Structure

Cross-references

GlyTouCan : G71964JP

GlyGen : G71964JP

ChEBI : 153252

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Composition

Hex:2 HexNAc:3 dHex:1

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IUPAC

GlcNAc(b1-3)Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]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-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b: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
5:1o(6+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:8o(2+1)9d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3b1D-GlcNAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DGlcpNAcb1-3DGalpb1-3[LFucpa1-2DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)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)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

XREGIXZFOWTRMT-PHQPRJLLSA-N

InCHI

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