Core 4 glycan structure

Cross-references

GlyTouCan : G55144QZ

GlyGen : G55144QZ

ChEBI : 151249

UniCarb-DB :

• 2937

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Composition

Hex:2 HexNAc:3 NeuAc:2

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IUPAC

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

GlycoCT

RES
1b:a-dgal-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dgal-HEX-1:5
6b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
7s:n-acetyl
8b:b-dglc-HEX-1:5
9s:n-acetyl
10b:b-dgal-HEX-1:5
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+2)6d
6:6d(5+1)7n
7:1o(6+1)8d
8:8d(2+1)9n
9:8o(4+1)10d
10:10o(3+2)11d
11:11d(5+1)12n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p--3a2D-NeuAc,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[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)CO)CO)O)O

InCHI key

FSXKMMBHEKUKJS-VSXHVGMYSA-N

InCHI

InChI=1S/C58H95N5O42/c1-15(70)59-29-20(75)6-57(55(89)90,102-46(29)34(79)22(77)8-64)104-48-36(81)24(10-66)95-53(41(48)86)99-43-26(12-68)97-51(31(39(43)84)61-17(3)72)93-14-28-38(83)45(33(50(88)94-28)63-19(5)74)101-52-32(62-18(4)73)40(85)44(27(13-69)98-52)100-54-42(87)49(37(82)25(11-67)96-54)105-58(56(91)92)7-21(76)30(60-16(2)71)47(103-58)35(80)23(78)9-65/h20-54,64-69,75-88H,6-14H2,1-5H3,(H,59,70)(H,60,71)(H,61,72)(H,62,73)(H,63,74)(H,89,90)(H,91,92)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50-,51+,52-,53-,54-,57-,58-/m0/s1