Complex glycan structure

Cross-references

GlyTouCan : G47011KD

GlyGen : G47011KD

ChEBI : 151267

---

Composition

Hex:3 HexNAc:6

---

IUPAC

GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-4)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAc

GlycoCT

RES
1b:b-dglc-HEX-1:5
2s:n-acetyl
3b:b-dglc-HEX-1:5
4s:n-acetyl
5b:b-dman-HEX-1:5
6b:a-dman-HEX-1:5
7b:b-dglc-HEX-1:5
8s:n-acetyl
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:a-dman-HEX-1:5
14b:b-dglc-HEX-1:5
15s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3d(2+1)4n
4:3o(4+1)5d
5:5o(3+1)6d
6:6o(2+1)7d
7:7d(2+1)8n
8:6o(4+1)9d
9:9d(2+1)10n
10:5o(4+1)11d
11:11d(2+1)12n
12:5o(6+1)13d
13:13o(4+1)14d
14:14d(2+1)15n

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man((--3a1Man(--2b1D-GlcNAc,p)--4b1D-GlcNAc,p)--4b1D-GlcNAc,p)--6a1Man--4b1D-GlcNAc,p$MONO,Und,0,0,freeEnd

Glycam

DGlcpNAcb1-2[DGlcpNAcb1-4]DManpa1-3[DGlcpNAcb1-4][DGlcpNAcb1-4DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)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)O)NC(=O)C)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

NGUBLKPIHLBIGF-LTWRTNCASA-N

InCHI

InChI=1S/C66H110N6O46/c1-16(81)67-31-45(95)51(26(11-77)103-58(31)101)112-63-36(72-21(6)86)46(96)52(27(12-78)108-63)115-65-50(100)56(117-66-57(118-62-35(71-20(5)85)44(94)40(90)25(10-76)107-62)49(99)54(29(14-80)110-66)114-60-33(69-18(3)83)42(92)38(88)23(8-74)105-60)55(116-61-34(70-19(4)84)43(93)39(89)24(9-75)106-61)30(111-65)15-102-64-48(98)47(97)53(28(13-79)109-64)113-59-32(68-17(2)82)41(91)37(87)22(7-73)104-59/h22-66,73-80,87-101H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)/t22-,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-,55-,56-,57+,58-,59+,60+,61+,62+,63+,64+,65+,66-/m1/s1