Complex glycan structure

Cross-references

GlyTouCan : G11994QC

GlyGen : G11994QC

ChEBI : 147736

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Composition

Hex:3 HexNAc:3 dHex:1

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IUPAC

GlcNAc(b1-4)Man(a1-3)[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:b-dglc-HEX-1:5
8s:n-acetyl
9b:a-dman-HEX-1:5
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(4+1)7d
7:7d(2+1)8n
8:5o(6+1)9d
9:1o(6+1)10d

GWS

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

Glycam

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

InCHI key

SYRFNTDWSGJTRM-MCYFHXNZSA-N

InCHI

InChI=1S/C48H81N3O35/c1-11-24(59)31(66)34(69)45(76-11)75-10-20-40(29(64)21(42(73)77-20)49-12(2)56)84-44-23(51-14(4)58)30(65)38(17(7-54)80-44)85-48-37(72)41(27(62)19(82-48)9-74-46-35(70)32(67)26(61)16(6-53)79-46)86-47-36(71)33(68)39(18(8-55)81-47)83-43-22(50-13(3)57)28(63)25(60)15(5-52)78-43/h11,15-48,52-55,59-73H,5-10H2,1-4H3,(H,49,56)(H,50,57)(H,51,58)/t11-,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+,43-,44-,45+,46-,47+,48-/m0/s1