High-Mannose glycan structure

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structure 864
N-Linked / High-Mannose (avg mass : 1883.6869)

3D structure from GLYCAM

Cross-references

GlyTouCan : G36581PT

GlyGen : G36581PT

ChEBI : 150573


Composition

Hex:9 HexNAc:2


IUPAC

Man(a1-3)Man(a1-2)Man(a1-2)[Man(a1-6)]Man(a1-3)[Man(a1-3)[Man(a1-6)]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:a-dman-HEX-1:5
8b:a-dman-HEX-1:5
9b:a-dman-HEX-1:5
10b:a-dman-HEX-1:5
11b:a-dman-HEX-1:5
12b:a-dman-HEX-1:5
13b: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
7:7o(2+1)8d
8:8o(3+1)9d
9:6o(6+1)10d
10:5o(6+1)11d
11:11o(3+1)12d
12:11o(6+1)13d

GWS

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

Glycam

DManpa1-3DManpa1-2DManpa1-2[DManpa1-6]DManpa1-3[DManpa1-3[DManpa1-6]DManpa1-6]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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)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[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O

InCHI key

ZNTSQMSODAHECF-IYHBCABCSA-N

InCHI

InChI=1S/C70H118N2O56/c1-14(81)71-27-38(92)53(22(9-79)111-60(27)107)122-61-28(72-15(2)82)39(93)54(23(10-80)118-61)123-68-52(106)57(37(91)26(120-68)13-110-64-50(104)56(125-66-49(103)43(97)32(86)19(6-76)115-66)36(90)25(119-64)12-109-63-47(101)41(95)30(84)17(4-74)113-63)126-70-59(45(99)34(88)24(121-70)11-108-62-46(100)40(94)29(83)16(3-73)112-62)128-69-58(44(98)33(87)20(7-77)117-69)127-67-51(105)55(35(89)21(8-78)116-67)124-65-48(102)42(96)31(85)18(5-75)114-65/h16-70,73-80,83-107H,3-13H2,1-2H3,(H,71,81)(H,72,82)/t16-,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+,65-,66-,67-,68+,69-,70-/m1/s1