No-core glycan structure

Cross-references

GlyTouCan : G41225ZT

GlyGen : G41225ZT

ChEBI : 150344

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Composition

Hex:3 HexNAc:2 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)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:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
9s:n-acetyl
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
7:7o(3+2)8d
8:8d(5+1)9n

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@@H]([C@H](O[C@H]([C@H]5O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O)CO)CO)O)CO)O)O)CO)CO)O)O

InCHI key

IJHYDXBMWDHLOG-YOEAGLKNSA-N

InCHI

InChI=1S/C45H75N3O34/c1-11(55)46-21-14(58)4-45(44(70)71,81-35(21)24(60)15(59)5-49)82-37-27(63)18(8-52)74-42(32(37)68)78-34-20(10-54)76-40(23(29(34)65)48-13(3)57)80-38-30(66)25(61)16(6-50)75-43(38)79-36-26(62)17(7-51)73-41(31(36)67)77-33-19(9-53)72-39(69)22(28(33)64)47-12(2)56/h14-43,49-54,58-69H,4-10H2,1-3H3,(H,46,55)(H,47,56)(H,48,57)(H,70,71)/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+,45-/m0/s1