Core 2 glycan structure

Cross-references

GlyTouCan : G40874QJ

GlyGen : G40874QJ

ChEBI : 150235

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Composition

Hex:4 HexNAc:2 NeuAc:1

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IUPAC

Gal(a1-4)Gal(b1-4)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:b-dgal-HEX-1:5
10b: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(4+1)9d
9:9o(4+1)10d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--4b1D-Gal,p--4a1D-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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C)CO)O)O

InCHI key

WJLNGFFUASEFKY-YAHTYKBESA-N

InCHI

InChI=1S/C51H85N3O39/c1-12(61)52-23-15(64)4-51(50(79)80,92-42(23)26(66)16(65)5-55)93-43-28(68)18(7-57)84-49(37(43)77)91-41-25(54-14(3)63)44(78)82-22(29(41)69)11-81-45-24(53-13(2)62)30(70)38(19(8-58)85-45)88-47-35(75)32(72)40(21(10-60)86-47)90-48-36(76)33(73)39(20(9-59)87-48)89-46-34(74)31(71)27(67)17(6-56)83-46/h15-49,55-60,64-78H,4-11H2,1-3H3,(H,52,61)(H,53,62)(H,54,63)(H,79,80)/t15-,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-,44-,45+,46+,47-,48-,49-,51-/m0/s1