Complex glycan structure

Cross-references

GlyTouCan : G74916CC

GlyGen : G74916CC

ChEBI : 153872

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Composition

Hex:3 HexNAc:4

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IUPAC

GlcNAc(b1-2)Man(a1-6)[GlcNAc(b1-4)][Man(a1-3)]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:a-dman-HEX-1:5
10b:b-dglc-HEX-1:5
11s: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
6:5o(4+1)7d
7:7d(2+1)8n
8:5o(6+1)9d
9:9o(2+1)10d
10:10d(2+1)11n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man((--3a1Man)--4b1D-GlcNAc,p)--6a1Man--2b1D-GlcNAc,p$MONO,Und,0,0,freeEnd

Glycam

DManpa1-3[DGlcpNAcb1-4][DGlcpNAcb1-2DManpa1-6]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)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)NC(=O)C)O

InCHI key

KAGQXRLHUTVQEM-YLDJJBPFSA-N

InCHI

InChI=1S/C50H84N4O36/c1-12(61)51-23-33(71)39(20(9-59)79-44(23)77)86-47-26(54-15(4)64)34(72)40(21(10-60)84-47)87-49-38(76)42(89-48-37(75)35(73)29(67)18(7-57)82-48)41(88-45-24(52-13(2)62)31(69)27(65)16(5-55)80-45)22(85-49)11-78-50-43(36(74)30(68)19(8-58)83-50)90-46-25(53-14(3)63)32(70)28(66)17(6-56)81-46/h16-50,55-60,65-77H,5-11H2,1-4H3,(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t16-,17-,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+/m1/s1