Core 2 glycan structure

Cross-references

GlyTouCan : G00728SN

GlyGen : G00728SN

ChEBI : 146108

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Composition

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

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IUPAC

NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)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-dglc-HEX-1:5
10s:n-acetyl
11b:a-lgal-HEX-1:5|6:d
12b:b-dgal-HEX-1:5
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s: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(3+1)9d
9:9d(2+1)10n
10:9o(3+1)11d
11:9o(4+1)12d
12:12o(3+2)13d
13:13d(5+1)14n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3b1D-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)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)OC[C@@H]7[C@@H]([C@@H]([C@H]([C@H](O7)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)CO)O)NC(=O)C)O)O)O

InCHI key

XMYJMPCYBOZAEI-WLLUFDGDSA-N

InCHI

InChI=1S/C70H115N5O51/c1-17-38(92)46(100)47(101)63(111-17)121-56-37(75-22(6)87)62(117-31(15-82)52(56)119-65-49(103)58(42(96)28(12-79)114-65)125-69(67(106)107)7-23(88)33(71-18(2)83)54(123-69)39(93)25(90)9-76)122-57-41(95)27(11-78)113-64(48(57)102)118-51-30(14-81)116-61(35(45(51)99)73-20(4)85)110-16-32-44(98)53(36(60(105)112-32)74-21(5)86)120-66-50(104)59(43(97)29(13-80)115-66)126-70(68(108)109)8-24(89)34(72-19(3)84)55(124-70)40(94)26(91)10-77/h17,23-66,76-82,88-105H,7-16H2,1-6H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,106,107)(H,108,109)/t17-,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+,55+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,69-,70-/m0/s1