Core 2 glycan structure

Cross-references

GlyTouCan : G81541IU

GlyGen : G81541IU

ChEBI : 154088

UniCarb-DB :

• 2647

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Composition

Hex:2 HexNAc:2 NeuAc:2

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IUPAC

NeuAc(a2-6)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-dgro-dgal-NON-2:6|1:a|2:keto|3:d
10s:n-acetyl
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(6+2)9d
9:9d(5+1)10n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--6a2D-NeuAc,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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[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[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)O)O)O)O

InCHI key

FNDVQBVIBONNGL-SAOZNSNXSA-N

InCHI

InChI=1S/C50H82N4O37/c1-13(59)51-25-17(63)5-49(47(77)78,89-40(25)29(67)19(65)7-55)82-12-24-31(69)35(73)36(74)45(86-24)87-38-22(10-58)85-44(27(34(38)72)53-15(3)61)81-11-23-33(71)39(28(43(76)83-23)54-16(4)62)88-46-37(75)42(32(70)21(9-57)84-46)91-50(48(79)80)6-18(64)26(52-14(2)60)41(90-50)30(68)20(66)8-56/h17-46,55-58,63-76H,5-12H2,1-4H3,(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,77,78)(H,79,80)/t17-,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-,49+,50-/m0/s1