Core 5 glycan structure

Cross-references

GlyTouCan : G94972RF

GlyGen : G94972RF

ChEBI : 155269

---

Composition

Hex:3 HexNAc:3 NeuAc:1

---

IUPAC

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

GlycoCT

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

GWS

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

InCHI key

JWPBFLQPOSSQLY-RFDSLASXSA-N

InCHI

InChI=1S/C53H88N4O39/c1-13(64)54-25-17(68)5-53(52(82)83,95-44(25)29(70)18(69)6-58)96-45-32(73)21(9-61)87-51(39(45)80)94-43-28(57-16(4)67)48(93-42-27(56-15(3)66)46(81)85-20(8-60)31(42)72)90-24(33(43)74)12-84-47-26(55-14(2)65)34(75)40(22(10-62)88-47)91-50-38(79)36(77)41(23(11-63)89-50)92-49-37(78)35(76)30(71)19(7-59)86-49/h17-51,58-63,68-81H,5-12H2,1-4H3,(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,82,83)/t17-,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-,46-,47+,48+,49-,50-,51-,53-/m0/s1