Structure

Cross-references

GlyTouCan : G98117HW

GlyGen : G98117HW

ChEBI : 155376

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Composition

Hex:4 HexNAc:4 Su:1

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IUPAC

HSO3(-4)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[Man(a1-3)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:a-dman-HEX-1:5
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(3+1)13d

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--3a1D-Man,p$MONO,Und,0,0,freeEnd

Glycam

DGalpNAc[4S]b1-4DGlcpNAcb1-2DManpa1-3[DManpa1-3DManpa1-6]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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)OS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

OKFGHKCIDGAYGH-WPMBUDRKSA-N

InCHI

InChI=1S/C56H94N4O44S/c1-13(68)57-25-33(76)42(20(8-64)90-49(25)85)98-50-26(58-14(2)69)35(78)44(22(10-66)94-50)100-55-41(84)47(32(75)24(97-55)12-89-53-40(83)46(31(74)19(7-63)91-53)101-54-39(82)37(80)29(72)17(5-61)92-54)102-56-48(38(81)30(73)18(6-62)93-56)103-52-27(59-15(3)70)34(77)43(21(9-65)95-52)99-51-28(60-16(4)71)36(79)45(23(11-67)96-51)104-105(86,87)88/h17-56,61-67,72-85H,5-12H2,1-4H3,(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,86,87,88)/t17-,18-,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-/m1/s1