Core 3 glycan structure

Cross-references

GlyTouCan : G17810KS

GlyGen : G17810KS

ChEBI : 147779

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Composition

Hex:2 HexNAc:3 NeuAc:2

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
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
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6d(2+1)7n
7:6o(4+1)8d
8:5o(6+2)9d
9:9d(5+1)10n
10:1o(6+2)11d
11:11d(5+1)12n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--4b1D-Gal,p)--6a2D-NeuAc,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)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)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)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

GLRZLQAUEMSYOK-MEJWAAOCSA-N

InCHI

InChI=1S/C58H95N5O42/c1-15(69)59-29-20(74)6-57(55(89)90,104-47(29)34(78)22(76)8-64)93-13-27-37(81)46(33(50(88)95-27)63-19(5)73)102-51-31(61-17(3)71)39(83)45(26(12-68)97-51)101-54-43(87)49(38(82)28(99-54)14-94-58(56(91)92)7-21(75)30(60-16(2)70)48(105-58)35(79)23(77)9-65)103-52-32(62-18(4)72)40(84)44(25(11-67)98-52)100-53-42(86)41(85)36(80)24(10-66)96-53/h20-54,64-68,74-88H,6-14H2,1-5H3,(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,89,90)(H,91,92)/t20-,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-,50-,51-,52-,53-,54-,57+,58+/m0/s1