Complex glycan structure

Cross-references

GlyTouCan : G06216UH

GlyGen : G06216UH

ChEBI : 146957

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Composition

Hex:3 HexNAc:6 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[GalNAc(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dman-HEX-1:5
6b:a-dman-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dgal-HEX-1:5
10s:n-acetyl
11s:sulfate
12b:a-dman-HEX-1:5
13b:b-dglc-HEX-1:5
14s:n-acetyl
15b:b-dgal-HEX-1:5
16s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:9d(2+1)10n
10:9o(4+1)11n
11:5o(6+1)12d
12:12o(2+1)13d
13:13d(2+1)14n
14:13o(4+1)15d
15:15d(2+1)16n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1D-Man,p(--3a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p--4?1S)--6a1D-Man,p--2b1D-GlcNAc,p--4b1D-GalNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAc[4S]b1-4DGlcpNAcb1-2DManpa1-3[DGalpNAcb1-4DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[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)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

MCKTUEIFNWJEMX-IRVYTZRQSA-N

InCHI

InChI=1S/C66H110N6O49S/c1-16(81)67-31-42(92)50(25(10-76)105-58(31)100)114-60-33(69-18(3)83)45(95)53(28(13-79)109-60)117-64-49(99)55(118-66-57(48(98)39(89)24(9-75)108-66)120-63-35(71-20(5)85)44(94)52(27(12-78)111-63)116-61-36(72-21(6)86)46(96)54(29(14-80)112-61)121-122(101,102)103)40(90)30(113-64)15-104-65-56(47(97)38(88)23(8-74)107-65)119-62-34(70-19(4)84)43(93)51(26(11-77)110-62)115-59-32(68-17(2)82)41(91)37(87)22(7-73)106-59/h22-66,73-80,87-100H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)(H,101,102,103)/t22-,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-/m1/s1