No-core glycan structure

Cross-references

GlyTouCan : G02622IU

GlyGen : G02622IU

ChEBI : 146430

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Composition

Hex:3 HexNAc:2 NeuAc:1

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IUPAC

NeuAc(a2-6)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(6+2)8d
8:8d(5+1)9n

GWS

freeEnd--?b1D-GlcNAc,p--4b1Man--3a1Man--2b1D-GlcNAc,p--4b1D-Gal,p--6a2D-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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)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)O)O)O)O

InCHI key

JHYLAEHYOQOBII-GUKZYVCNSA-N

InCHI

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