Core 4 glycan structure

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O-Linked / Core 4 (avg mass : 1243.143)

3D structure from GLYCAM

Cross-references

GlyTouCan : G91313DF

GlyGen : G91313DF

ChEBI : 155073

UniCarb-DB :


Composition

Hex:2 HexNAc:3 NeuAc:1


IUPAC

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)[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
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

GWS

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

InCHI key

COJKHSRNCJSBKK-NNKRLVDBSA-N

InCHI

InChI=1S/C47H78N4O34/c1-12(57)48-23-16(61)5-47(46(73)74,84-39(23)27(63)17(62)6-52)85-40-29(65)19(8-54)78-45(35(40)71)82-37-21(10-56)80-43(25(32(37)68)50-14(3)59)83-38-26(51-15(4)60)41(72)76-22(30(38)66)11-75-42-24(49-13(2)58)31(67)36(20(9-55)79-42)81-44-34(70)33(69)28(64)18(7-53)77-44/h16-45,52-56,61-72H,5-11H2,1-4H3,(H,48,57)(H,49,58)(H,50,59)(H,51,60)(H,73,74)/t16-,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-,44-,45-,47-/m0/s1