Structure

Cross-references

GlyTouCan : G15555MR

GlyGen : G15555MR

ChEBI : 147965

UniCarb-DB :

• 2684
• 2685
• 3517

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Composition

Hex:3 HexNAc:2 NeuAc:1

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IUPAC

Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)[NeuAc(a2-3)Gal(b1-3)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a1D-Gal,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)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)O)O)NC(=O)C)O)NC(=O)C)CO)O)O

InCHI key

YKXHZXKDXSMCJV-LUYXNFPRSA-N

InCHI

InChI=1S/C45H75N3O34/c1-11(54)46-21-14(57)4-45(44(70)71,81-36(21)24(59)15(58)5-49)82-38-27(62)18(8-52)76-43(33(38)68)79-35-23(48-13(3)56)39(69)73-20(28(35)63)10-72-40-22(47-12(2)55)29(64)34(19(9-53)77-40)78-42-32(67)37(26(61)17(7-51)75-42)80-41-31(66)30(65)25(60)16(6-50)74-41/h14-43,49-53,57-69H,4-10H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,70,71)/t14-,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-,43-,45-/m0/s1