Structure

Cross-references

GlyTouCan : G43639BV

GlyGen : G43639BV

ChEBI : -

UniCarb-DB :

• 205
• 2973

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Composition

Hex:2 HexNAc:3 dHex:1

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IUPAC

Fuc(a1-2)[GalNAc(a1-3)]Gal(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:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:a-dgal-HEX-1:5
9s: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(4+1)6d
6:6o(2+1)7d
7:6o(3+1)8d
8:8d(2+1)9n

GWS

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

Glycam

DGalpb1-3[DGalpNAca1-3[LFucpa1-2]DGalpb1-4DGlcpNAcb1-6]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)O)O)CO)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O

InCHI key

AEKAYJNZZBFOAD-NDKSTUGASA-N

InCHI

InChI=1S/C42H71N3O30/c1-10-22(53)29(60)31(62)40(66-10)75-36-35(74-39-19(43-11(2)50)27(58)23(54)14(5-46)68-39)25(56)16(7-48)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)30(61)24(55)15(6-47)69-41/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