Structure

Cross-references

GlyTouCan : G59155GF

GlyGen : G59155GF

ChEBI : 152418

UniCarb-DB :

• 2827
• 2992

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Composition

Hex:2 HexNAc:2 dHex:1 NeuAc:1

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IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[Fuc(a1-2)Gal(b1-3)]GalNAc

GlycoCT

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

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-Gal,p--2a1L-Fuc,p)--6b1D-GlcNAc,p--4b1D-Gal,p--3a2D-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@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[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)NC(=O)C)CO)O)O)O)O)O

InCHI key

QREJFYUEKLRJEH-DETXGHHESA-N

InCHI

InChI=1S/C45H75N3O33/c1-11-24(58)30(64)32(66)41(72-11)79-38-31(65)26(60)17(7-50)75-43(38)78-35-23(48-14(4)55)39(68)73-20(28(35)62)10-71-40-22(47-13(3)54)29(63)34(19(9-52)76-40)77-42-33(67)37(27(61)18(8-51)74-42)81-45(44(69)70)5-15(56)21(46-12(2)53)36(80-45)25(59)16(57)6-49/h11,15-43,49-52,56-68H,5-10H2,1-4H3,(H,46,53)(H,47,54)(H,48,55)(H,69,70)/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-,45-/m0/s1