No-core glycan structure

Cross-references

GlyTouCan : G88303DD

GlyGen : G88303DD

ChEBI : 154331

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Composition

Hex:2 HexNAc:2 dHex:2

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IUPAC

Man(a1-6)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)][Fuc(a1-6)]GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:a-lgal-HEX-1:5|6:d
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dman-HEX-1:5
7b:a-dman-HEX-1:5
8b:a-lgal-HEX-1:5|6:d
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(4+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(6+1)7d
7:1o(6+1)8d

GWS

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

Glycam

DManpa1-6DManpb1-4DGlcpNAcb1-4[LFucpa1-3][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[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

NPTSEFSPKJBCKK-UWXGXBPPSA-N

InCHI

InChI=1S/C40H68N2O29/c1-9-19(47)24(52)28(56)37(63-9)62-8-16-33(34(18(35(60)65-16)42-12(4)46)71-39-30(58)25(53)20(48)10(2)64-39)70-36-17(41-11(3)45)23(51)32(14(6-44)67-36)69-40-31(59)27(55)22(50)15(68-40)7-61-38-29(57)26(54)21(49)13(5-43)66-38/h9-10,13-40,43-44,47-60H,5-8H2,1-4H3,(H,41,45)(H,42,46)/t9-,10-,13+,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-/m0/s1