High-Mannose glycan structure

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structure 955
N-Linked / High-Mannose (avg mass : 2045.8293)

3D structure from GLYCAM

Cross-references

GlyTouCan : G66728LX

GlyGen : G66728LX

ChEBI : 152842


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(a1-2)Man(a1-3)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
13:13o(2+1)14d

GWS

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

Glycam

DGlcpa1-2DGlcpa1-3DGlcpa1-3DManpa1-2DManpa1-2DManpa1-3[DManpa1-2DManpa1-3DManpa1-6]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[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)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

GQPFBKFQMLKSRJ-AUHXMFISSA-N

InCHI

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