Core 3 glycan structure

Cross-references

GlyTouCan : G38684VZ

GlyGen : G38684VZ

ChEBI : 150350

---

Composition

Hex:2 HexNAc:3 NeuAc:3

---

IUPAC

NeuAc(a2-6)Gal(b1-3)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]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:b-dglc-HEX-1:5
7s:n-acetyl
8b:b-dgal-HEX-1:5
9b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
10s:n-acetyl
11b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
12s:n-acetyl
13b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
14s: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+1)6d
6:6d(2+1)7n
7:6o(3+1)8d
8:8o(6+2)9d
9:9d(5+1)10n
10:5o(6+2)11d
11:11d(5+1)12n
12:1o(6+2)13d
13:13d(5+1)14n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p--6a2D-NeuAc,p)--6a2D-NeuAc,p)--6a2D-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)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO[C@@]8(C[C@@H]([C@H]([C@@H](O8)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O

InCHI key

QYYWKPSAOJDCTB-GZTJLHDASA-N

InCHI

InChI=1S/C69H112N6O50/c1-18(81)70-35-24(87)7-67(64(105)106,123-55(35)41(93)27(90)10-76)111-15-32-44(96)49(101)50(102)62(117-32)121-54-40(75-23(6)86)61(115-30(13-79)45(54)97)122-58-47(99)34(17-113-69(66(109)110)9-26(89)37(72-20(3)83)57(125-69)43(95)29(92)12-78)118-63(51(58)103)119-52-31(14-80)116-60(38(48(52)100)73-21(4)84)120-53-39(74-22(5)85)59(104)114-33(46(53)98)16-112-68(65(107)108)8-25(88)36(71-19(2)82)56(124-68)42(94)28(91)11-77/h24-63,76-80,87-104H,7-17H2,1-6H3,(H,70,81)(H,71,82)(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,105,106)(H,107,108)(H,109,110)/t24-,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+,55+,56+,57+,58-,59-,60-,61-,62-,63-,67+,68+,69+/m0/s1