Core 2 glycan structure

Cross-references

GlyTouCan : G71306LD

GlyGen : G71306LD

ChEBI : 153129

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Composition

Hex:4 HexNAc:4 dHex:1

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IUPAC

Fuc(a1-2)Gal(b1-3)GlcNAc(b1-3)[Gal(b1-4)GlcNAc(b1-6)]Gal(b1-3)[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:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:b-dgal-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(3+1)4d
4:4d(2+1)5n
5:4o(3+1)6d
6:6o(2+1)7d
7:3o(6+1)8d
8:8d(2+1)9n
9:8o(4+1)10d
10:1o(6+1)11d
11:11d(2+1)12n
12:11o(4+1)13d

GWS

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

Glycam

LFucpa1-2DGalpb1-3DGlcpNAcb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpb1-3[DGalpb1-4DGlcpNAcb1-6]DGalpNAca1-OH

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]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)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)NC(=O)C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

FQMQUWKYIYKHFK-ZBSRNTFYSA-N

InCHI

InChI=1S/C62H104N4O45/c1-14-31(77)40(86)44(90)58(97-14)111-53-43(89)34(80)21(8-69)102-62(53)109-51-30(66-18(5)76)57(99-22(9-70)35(51)81)110-52-37(83)26(13-96-56-28(64-16(3)74)39(85)49(24(11-72)104-56)107-60-46(92)42(88)33(79)20(7-68)101-60)105-61(47(52)93)108-50-29(65-17(4)75)54(94)98-25(36(50)82)12-95-55-27(63-15(2)73)38(84)48(23(10-71)103-55)106-59-45(91)41(87)32(78)19(6-67)100-59/h14,19-62,67-72,77-94H,6-13H2,1-5H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/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-,53+,54-,55+,56+,57-,58-,59-,60-,61-,62-/m0/s1