High-Mannose glycan structure

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structure 914
N-Linked / High-Mannose (avg mass : 2045.8293)

3D structure from GLYCAM

Cross-references

GlyTouCan : G24769QK

GlyGen : G24769QK

ChEBI : 148990


Composition

Hex:10 HexNAc:2


IUPAC

Glc(a1-2)Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)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-dglc-HEX-1:5
10b:a-dglc-HEX-1:5
11b:a-dglc-HEX-1:5
12b:a-dman-HEX-1:5
13b:a-dman-HEX-1:5
14b: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
9:9o(3+1)10d
10:10o(2+1)11d
11:5o(6+1)12d
12:12o(3+1)13d
13:12o(6+1)14d

GWS

freeEnd--?b1D-GlcNAc,p--4b1D-GlcNAc,p--4b1Man(--3a1Man--2a1Man--2a1Man--3a1Glc--3a1Glc--2a1Glc)--6a1Man(--3a1Man)--6a1Man$MONO,Und,0,0,freeEnd

Glycam

DGlcpa1-2DGlcpa1-3DGlcpa1-3DManpa1-2DManpa1-2DManpa1-3[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)O)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)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[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O

InCHI key

XOXMWWBPISESNG-XRHKCYKPSA-N

InCHI

InChI=1S/C76H128N2O61/c1-15(89)77-29-41(101)56(25(11-87)119-65(29)116)131-66-30(78-16(2)90)42(102)57(26(12-88)128-66)132-73-55(115)61(40(100)28(130-73)14-118-68-52(112)60(133-69-50(110)44(104)32(92)18(4-80)121-69)39(99)27(129-68)13-117-67-49(109)43(103)31(91)17(3-79)120-67)136-75-64(48(108)36(96)21(7-83)126-75)139-76-63(47(107)35(95)22(8-84)127-76)138-72-53(113)58(37(97)23(9-85)124-72)134-71-54(114)59(38(98)24(10-86)123-71)135-74-62(46(106)34(94)20(6-82)125-74)137-70-51(111)45(105)33(93)19(5-81)122-70/h17-76,79-88,91-116H,3-14H2,1-2H3,(H,77,89)(H,78,90)/t17-,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-,71-,72-,73+,74-,75-,76-/m1/s1