Complex glycan structure

Cross-references

GlyTouCan : G39029JR

GlyGen : G39029JR

ChEBI : 150418

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Composition

Hex:4 HexNAc:6

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IUPAC

Gal(b1-4)GlcNAc(b1-4)[GlcNAc(b1-2)]Man(a1-3)[GlcNAc(b1-2)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-dgal-HEX-1:5
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b:a-dman-HEX-1:5
15b:b-dglc-HEX-1:5
16s: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
10:9o(4+1)11d
11:5o(4+1)12d
12:12d(2+1)13n
13:5o(6+1)14d
14:14o(2+1)15d
15:15d(2+1)16n

GWS

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

Glycam

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

InCHI key

XGBGLWPAOKULIO-BVHOXTLPSA-N

InCHI

InChI=1S/C72H120N6O51/c1-17(88)73-33-47(102)55(28(12-84)112-63(33)110)122-67-37(77-21(5)92)49(104)57(30(14-86)118-67)125-70-54(109)60(59(126-64-34(74-18(2)89)44(99)39(94)23(7-79)113-64)32(121-70)16-111-71-61(51(106)43(98)27(11-83)117-71)128-65-35(75-19(3)90)45(100)40(95)24(8-80)114-65)127-72-62(129-66-36(76-20(4)91)46(101)41(96)25(9-81)115-66)53(108)58(31(15-87)120-72)123-68-38(78-22(6)93)48(103)56(29(13-85)119-68)124-69-52(107)50(105)42(97)26(10-82)116-69/h23-72,79-87,94-110H,7-16H2,1-6H3,(H,73,88)(H,74,89)(H,75,90)(H,76,91)(H,77,92)(H,78,93)/t23-,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+,69+,70+,71+,72-/m1/s1