Structure

Cross-references

GlyTouCan : G17752YB

GlyGen : G17752YB

ChEBI : 147760

UniCarb-DB :

• 33
• 2782

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Composition

Hex:2 HexNAc:2 dHex:1

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IUPAC

Fuc(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:a-lgal-HEX-1:5|6:d
7b:b-dgal-HEX-1:5
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

GWS

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

Glycam

DGalpb1-3[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)O)O)NC(=O)C)O)O)O

InCHI key

NYTSEJDAHNRALB-FTEBYXOJSA-N

InCHI

InChI=1S/C34H58N2O25/c1-8-17(42)21(46)24(49)32(54-8)61-29-16(36-10(3)41)31(58-13(6-39)27(29)59-33-25(50)22(47)18(43)11(4-37)56-33)53-7-14-20(45)28(15(30(52)55-14)35-9(2)40)60-34-26(51)23(48)19(44)12(5-38)57-34/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22-,23-,24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34-/m0/s1