High-Mannose glycan structure

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structure 817
N-Linked / High-Mannose (avg mass : 1721.5445)

3D structure from GLYCAM

Cross-references

GlyTouCan : G41827IE

GlyGen : G41827IE

ChEBI : 150523


Composition

Hex:8 HexNAc:2


IUPAC

Man(a1-2)Man(a1-6)[Galf(b1-2)][Man(a1-3)]Man(a1-6)[Man(a1-2)Man(a1-3)]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:a-dman-HEX-1:5
8b:a-dman-HEX-1:5
9b:b-dgal-HEX-1:4
10b:a-dman-HEX-1:5
11b:a-dman-HEX-1:5
12b:a-dman-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
7:5o(6+1)8d
8:8o(2+1)9d
9:8o(3+1)10d
10:8o(6+1)11d
11:11o(2+1)12d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2a1Man)--6a1Man((--2b1Gal,f)--3a1Man)--6a1Man--2a1Man$MONO,Und,0,0,freeEnd

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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)[C@@H](CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)NC(=O)C)O

InCHI key

ORGDGCUOITVYQO-YMEWOMRISA-N

InCHI

InChI=1S/C64H108N2O51/c1-13(75)65-25-34(85)48(21(9-73)101-55(25)98)111-56-26(66-14(2)76)35(86)49(22(10-74)107-56)112-61-46(97)50(113-64-53(40(91)31(82)20(8-72)106-64)116-59-44(95)38(89)29(80)18(6-70)104-59)32(83)23(108-61)11-100-63-54(117-60-45(96)41(92)47(110-60)15(77)3-67)51(114-57-42(93)36(87)27(78)16(4-68)102-57)33(84)24(109-63)12-99-62-52(39(90)30(81)19(7-71)105-62)115-58-43(94)37(88)28(79)17(5-69)103-58/h15-64,67-74,77-98H,3-12H2,1-2H3,(H,65,75)(H,66,76)/t15-,16-,17-,18-,19-,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-/m1/s1