Core 2 glycan structure

Cross-references

GlyTouCan : G12616PJ

GlyGen : G12616PJ

ChEBI : 147900

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Composition

Hex:4 HexNAc:4 NeuAc:1

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IUPAC

Gal(b1-3)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]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:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:b-dgal-HEX-1:5
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
11:8o(6+1)12d
12:12d(2+1)13n
13:12o(4+1)14d

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--3a2D-NeuAc,p)--6b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p)--6b1D-GlcNAc,p--4b1D-Gal,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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO[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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O)NC(=O)C)CO)O)O

InCHI key

BONDZZYYDAIMDD-CHQJWDDXSA-N

InCHI

InChI=1S/C67H111N5O49/c1-16(80)68-31-21(85)6-67(66(103)104,120-55(31)36(87)22(86)7-73)121-57-40(91)26(11-77)111-65(50(57)101)117-53-34(71-19(4)83)58(102)107-29(41(53)92)14-105-59-33(70-18(3)82)44(95)52(28(13-79)113-59)116-64-49(100)56(119-61-35(72-20(5)84)54(39(90)25(10-76)108-61)118-63-48(99)46(97)38(89)24(9-75)110-63)42(93)30(114-64)15-106-60-32(69-17(2)81)43(94)51(27(12-78)112-60)115-62-47(98)45(96)37(88)23(8-74)109-62/h21-65,73-79,85-102H,6-15H2,1-5H3,(H,68,80)(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H,103,104)/t21-,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+,55+,56-,57-,58-,59+,60+,61-,62-,63-,64-,65-,67-/m0/s1