No-core glycan structure

Cross-references

GlyTouCan : G07301IS

GlyGen : G07301IS

ChEBI : 147126

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Composition

Hex:3 HexNAc:3 dHex:1

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IUPAC

Gal(b1-4)GlcNAc(b1-6)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:b-dgal-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(6+1)6d
6:6o(6+1)7d
7:7d(2+1)8n
8:7o(4+1)9d
9:1o(6+1)10d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-6DManpa1-6DManpb1-4DGlcpNAcb1-4[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[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)O)O)NC(=O)C)O)O)O)O)O)O)O)NC(=O)C)O)O)O

InCHI key

UYSIVLYCBZNLCQ-YINQMWMESA-N

InCHI

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