Core 3 glycan structure

Cross-references

GlyTouCan : G29025YS

GlyGen : G29025YS

ChEBI : 148575

---

Composition

Hex:2 HexNAc:4 dHex:1 NeuAc:2

---

IUPAC

Fuc(a1-2)[GalNAc(a1-3)]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-lgal-HEX-1:5|6:d
10b:a-dgal-HEX-1:5
11s:n-acetyl
12b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
13s:n-acetyl
14b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
15s: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(2+1)9d
9:8o(3+1)10d
10:10d(2+1)11n
11:5o(6+2)12d
12:12d(5+1)13n
13:1o(6+2)14d
14:14d(5+1)15n

GWS

freeEnd--?a1D-GalNAc,p(--3b1D-GlcNAc,p--4b1D-Gal,p(--3b1D-GlcNAc,p--3b1D-Gal,p(--2a1L-Fuc,p)--3a1D-GalNAc,p)--6a2D-NeuAc,p)--6a2D-NeuAc,p$MONO,Und,0,0,freeEnd

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@@H]6[C@H]([C@H](O[C@@H]([C@@H]6O)CO[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)NC(=O)C)CO)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)NC(=O)C)CO)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)NC(=O)C)O)O)O

InCHI key

NZRBBJYDPBFSOP-VAINMEJDSA-N

InCHI

InChI=1S/C72H118N6O51/c1-18-41(95)51(105)52(106)66(115-18)127-61-60(126-63-37(75-21(4)87)49(103)44(98)29(12-81)117-63)46(100)31(14-83)119-68(61)124-56-40(78-24(7)90)65(118-30(13-82)45(56)99)125-59-48(102)34(17-114-72(70(111)112)9-26(92)36(74-20(3)86)58(129-72)43(97)28(94)11-80)121-67(53(59)107)122-54-32(15-84)120-64(38(50(54)104)76-22(5)88)123-55-39(77-23(6)89)62(108)116-33(47(55)101)16-113-71(69(109)110)8-25(91)35(73-19(2)85)57(128-71)42(96)27(93)10-79/h18,25-68,79-84,91-108H,8-17H2,1-7H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)(H,109,110)(H,111,112)/t18-,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+,64-,65-,66-,67-,68-,71+,72+/m0/s1