No-core glycan structure

Cross-references

GlyTouCan : G50251EH

GlyGen : G50251EH

ChEBI : 151930

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Composition

Hex:3 HexNAc:1 dHex:1 NeuAc:1

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IUPAC

Fuc(a1-2)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-3)Glc

GlycoCT

RES
1b:x-dglc-HEX-1:5
2b:b-dgal-HEX-1:5
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:a-lgal-HEX-1:5|6:d
7b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
8s:n-acetyl
LIN
1:1o(3+1)2d
2:2o(3+1)3d
3:3d(2+1)4n
4:3o(3+1)5d
5:5o(2+1)6d
6:3o(6+2)7d
7:7d(5+1)8n

GWS

freeEnd--??1D-Glc,p--3b1D-Gal,p--3b1D-GlcNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@H]6[C@@H]([C@H](OC([C@@H]6O)O)CO)O)CO)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

RNBVEYSYJIFQCY-GQJPOVQWSA-N

InCHI

InChI=1S/C43H72N2O33/c1-10-21(54)27(60)29(62)39(69-10)77-36-28(61)23(56)15(6-47)72-41(36)74-32-20(45-12(3)51)38(75-35-25(58)17(8-49)71-40(31(35)64)76-34-24(57)16(7-48)70-37(65)30(34)63)73-18(26(32)59)9-68-43(42(66)67)4-13(52)19(44-11(2)50)33(78-43)22(55)14(53)5-46/h10,13-41,46-49,52-65H,4-9H2,1-3H3,(H,44,50)(H,45,51)(H,66,67)/t10-,13-,14+,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-,43+/m0/s1