No-core glycan structure

Cross-references

GlyTouCan : G42466VF

GlyGen : G42466VF

ChEBI : 150739

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Composition

Hex:2 HexNAc:2 dHex:1

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IUPAC

Man(a1-3)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]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:a-lgal-HEX-1:5|6:d
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
6:1o(6+1)7d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man--3a1Man)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

DManpa1-3DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[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)NC(=O)C)O)O)O

InCHI key

RUQBLTPVYGMVEC-CNOTZJEUSA-N

InCHI

InChI=1S/C34H58N2O25/c1-8-17(42)22(47)24(49)32(54-8)53-7-14-28(20(45)15(30(52)55-14)35-9(2)40)59-31-16(36-10(3)41)21(46)27(13(6-39)58-31)60-34-26(51)29(19(44)12(5-38)57-34)61-33-25(50)23(48)18(43)11(4-37)56-33/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33+,34-/m0/s1