No-core glycan structure

Cross-references

GlyTouCan : G74900AO

GlyGen : G74900AO

ChEBI : 153866

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Composition

Hex:4 HexNAc:3

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IUPAC

Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)Man(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:4o(4+1)8d
8:8d(2+1)9n
9:8o(4+1)10d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2[DGalpb1-4DGlcpNAcb1-4]DManpa1-3DManpb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)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[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)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)O)O)NC(=O)C)O)O

InCHI key

PZLUDVCWWSNJJL-DYJORSSFSA-N

InCHI

InChI=1S/C48H81N3O36/c1-11(59)49-21-27(65)36(17(7-55)75-42(21)74)85-47-35(73)40(26(64)16(6-54)78-47)86-48-41(87-44-23(51-13(3)61)29(67)38(19(9-57)80-44)84-46-33(71)31(69)25(63)15(5-53)77-46)34(72)39(20(10-58)81-48)82-43-22(50-12(2)60)28(66)37(18(8-56)79-43)83-45-32(70)30(68)24(62)14(4-52)76-45/h14-48,52-58,62-74H,4-10H2,1-3H3,(H,49,59)(H,50,60)(H,51,61)/t14-,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-/m1/s1