Structure

Cross-references

GlyTouCan : G01457KB

GlyGen : G01457KB

ChEBI : 146505

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Composition

Hex:1 HexNAc:3 NeuAc:1

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
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
3:3d(2+1)4n
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-GlcNAc,p)--6b1D-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)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)CO)CO)O)O

InCHI key

NVESAWHTVZSIAX-ISIOQZJKSA-N

InCHI

InChI=1S/C41H68N4O29/c1-11(50)42-21-15(54)5-41(40(64)65,73-34(21)25(56)16(55)6-46)74-35-27(58)18(8-48)69-39(31(35)62)71-32-19(9-49)70-37(23(30(32)61)44-13(3)52)66-10-20-28(59)33(24(36(63)67-20)45-14(4)53)72-38-22(43-12(2)51)29(60)26(57)17(7-47)68-38/h15-39,46-49,54-63H,5-10H2,1-4H3,(H,42,50)(H,43,51)(H,44,52)(H,45,53)(H,64,65)/t15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-,37+,38-,39-,41-/m0/s1