No-core glycan structure

Cross-references

GlyTouCan : G16590BZ

GlyGen : G16590BZ

ChEBI : 148165

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Composition

Hex:2 HexNAc:3 dHex:2

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IUPAC

Fuc(a1-3)GlcNAc(b1-2)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:b-dglc-HEX-1:5
8s:n-acetyl
9b:a-lgal-HEX-1:5|6:d
10b: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
6:6o(2+1)7d
7:7d(2+1)8n
8:7o(3+1)9d
9:1o(6+1)10d

GWS

freeEnd--?b1D-GlcNAc,p(--4b1D-GlcNAc,p--4b1Man--3a1Man--2b1D-GlcNAc,p--3a1L-Fuc,p)--6a1L-Fuc,p$MONO,Und,0,0,freeEnd

Glycam

LFucpa1-3DGlcpNAcb1-2DManpa1-3DManpb1-4DGlcpNAcb1-4[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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O

InCHI key

XBQKIGVUFKYOQF-BELORDHHSA-N

InCHI

InChI=1S/C48H81N3O34/c1-11-24(59)31(66)34(69)45(74-11)73-10-20-38(29(64)21(42(72)76-20)49-13(3)56)81-43-22(50-14(4)57)30(65)37(19(9-55)80-43)82-47-36(71)40(28(63)18(8-54)78-47)84-48-41(33(68)26(61)16(6-52)79-48)85-44-23(51-15(5)58)39(27(62)17(7-53)77-44)83-46-35(70)32(67)25(60)12(2)75-46/h11-12,16-48,52-55,59-72H,6-10H2,1-5H3,(H,49,56)(H,50,57)(H,51,58)/t11-,12-,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+,43-,44-,45+,46-,47-,48+/m0/s1