Complex glycan structure

Cross-references

GlyTouCan : G29905OR

GlyGen : G29905OR

ChEBI : 148827

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Composition

Hex:3 HexNAc:3

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IUPAC

GlcNAc(b1-4)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: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(4+1)7d
7:7d(2+1)8n
8:5o(6+1)9d

GWS

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

Glycam

DGlcpNAcb1-4DManpa1-3[DManpa1-6]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)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)O)O)O)NC(=O)C)O

InCHI key

UCGVLPNQLILGOC-HTJVEHMCSA-N

InCHI

InChI=1S/C42H71N3O31/c1-10(51)43-19-26(58)33(15(6-48)67-37(19)65)73-39-21(45-12(3)53)27(59)34(16(7-49)70-39)75-42-32(64)36(24(56)18(72-42)9-66-40-30(62)28(60)23(55)14(5-47)69-40)76-41-31(63)29(61)35(17(8-50)71-41)74-38-20(44-11(2)52)25(57)22(54)13(4-46)68-38/h13-42,46-50,54-65H,4-9H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)/t13-,14-,15-,16-,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+/m1/s1