Core 2 glycan structure

Cross-references

GlyTouCan : G40319SF

GlyGen : G40319SF

ChEBI : 150103

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Composition

Hex:2 HexNAc:3 dHex:1 NeuAc:1

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IUPAC

GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-3)[Fuc(a1-2)Gal(b1-4)GlcNAc(b1-6)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p(--3b1D-GlcNAc,p)--6a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--2a1L-Fuc,p$MONO,Und,0,0,freeEnd

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[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[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O)CO)CO)O)O)O)O)O

InCHI key

IAIQRIHZNXFIDM-IQQCRKITSA-N

InCHI

InChI=1S/C53H88N4O38/c1-13-29(68)37(76)39(78)49(85-13)94-45-38(77)32(71)21(9-60)88-51(45)91-41-22(10-61)89-47(27(36(41)75)56-16(4)64)83-11-23-33(72)42(28(46(80)86-23)57-17(5)65)92-50-40(79)44(93-48-26(55-15(3)63)35(74)31(70)20(8-59)87-48)34(73)24(90-50)12-84-53(52(81)82)6-18(66)25(54-14(2)62)43(95-53)30(69)19(67)7-58/h13,18-51,58-61,66-80H,6-12H2,1-5H3,(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,81,82)/t13-,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-,50-,51-,53+/m0/s1