Complex glycan structure

Cross-references

GlyTouCan : G52770HR

GlyGen : G52770HR

ChEBI : 151664

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Composition

Hex:6 HexNAc:4

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IUPAC

Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[Gal(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]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-dgal-HEX-1:5
10b:a-dman-HEX-1:5
11b:b-dglc-HEX-1:5
12s:n-acetyl
13b:b-dgal-HEX-1:5
14b:b-dgal-HEX-1:5
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
8:7o(4+1)9d
9:5o(6+1)10d
10:10o(2+1)11d
11:11d(2+1)12n
12:11o(4+1)13d
13:13o(3+1)14d

GWS

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

Glycam

DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGalpb1-3DGalpb1-4DGlcpNAcb1-2DManpa1-6]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)O)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[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O

InCHI key

FOAOPWLJJXJZIG-REAVYYAISA-N

InCHI

InChI=1S/C68H114N4O51/c1-15(82)69-29-39(92)51(24(10-78)106-59(29)104)116-60-30(70-16(2)83)40(93)54(26(12-80)112-60)119-66-50(103)56(121-68-58(46(99)36(89)22(8-76)111-68)123-62-32(72-18(4)85)41(94)52(25(11-79)114-62)117-63-47(100)43(96)33(86)19(5-73)107-63)38(91)28(115-66)14-105-67-57(45(98)35(88)21(7-75)110-67)122-61-31(71-17(3)84)42(95)53(27(13-81)113-61)118-65-49(102)55(37(90)23(9-77)109-65)120-64-48(101)44(97)34(87)20(6-74)108-64/h19-68,73-81,86-104H,5-14H2,1-4H3,(H,69,82)(H,70,83)(H,71,84)(H,72,85)/t19-,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-,52-,53-,54-,55+,56+,57+,58+,59-,60+,61+,62+,63+,64+,65+,66+,67+,68-/m1/s1