Core 2 glycan structure

Cross-references

GlyTouCan : G97345NY

GlyGen : G97345NY

ChEBI : 155160

UniCarb-DB :

• 61
• 457
• 2835
• 2927

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]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:a-lgal-HEX-1:5|6:d
9b:b-dgal-HEX-1:5
10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
11s: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(3+1)8d
8:6o(4+1)9d
9:9o(3+2)10d
10:10d(5+1)11n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p(--3a1L-Fuc,p)--4b1D-Gal,p--3a2D-NeuAc,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](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC[C@@H]5[C@@H]([C@@H]([C@H]([C@H](O5)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O

InCHI key

UMVJMFYOZWEWPJ-HGNMRNMBSA-N

InCHI

InChI=1S/C56H92N4O41/c1-14-31(74)37(80)38(81)50(90-14)97-45-30(60-18(5)69)49(94-25(12-65)41(45)95-51-39(82)46(34(77)23(10-63)92-51)100-55(53(85)86)6-19(70)27(57-15(2)66)43(98-55)32(75)21(72)8-61)89-13-26-36(79)42(29(48(84)91-26)59-17(4)68)96-52-40(83)47(35(78)24(11-64)93-52)101-56(54(87)88)7-20(71)28(58-16(3)67)44(99-56)33(76)22(73)9-62/h14,19-52,61-65,70-84H,6-13H2,1-5H3,(H,57,66)(H,58,67)(H,59,68)(H,60,69)(H,85,86)(H,87,88)/t14-,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-,52-,55-,56-/m0/s1