No-core glycan structure

Cross-references

GlyTouCan : G00395TQ

GlyGen : G00395TQ

ChEBI : 146057

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Composition

Hex:2 HexNAc:2 dHex:1

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IUPAC

Man(a1-6)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(6+1)6d
6:1o(6+1)7d

GWS

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

Glycam

DManpa1-6DManpb1-4DGlcpNAcb1-4[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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

WWRYBASNYSZURS-JESJFFHASA-N

InCHI

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