Structure

Cross-references

GlyTouCan : G10687EF

GlyGen : G10687EF

ChEBI : 147207

UniCarb-DB :

• 197
• 498
• 2788
• 3071

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Composition

Hex:1 HexNAc:3 dHex:1

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IUPAC

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

GWS

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

Glycam

DGlcpNAcb1-3[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)NC(=O)C)O)CO)CO)O)O)O)O)O

InCHI key

ZYWZJQBIKUZFCV-YHBABQBOSA-N

InCHI

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