High-Mannose glycan structure

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N-Linked / High-Mannose (avg mass : 2207.9717)

3D structure from GLYCAM

Cross-references

GlyTouCan : G13335AQ

GlyGen : G13335AQ

ChEBI : 148098


Composition

Hex:11 HexNAc:2


IUPAC

Man(a1-3)Man(a1-2)Man(a1-2)[Man(a1-6)]Man(a1-3)[Man(a1-3)Man(a1-2)Man(a1-6)[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-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
14b:a-dman-HEX-1:5
15b: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
13:13o(2+1)14d
14:14o(3+1)15d

GWS

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

Glycam

DManpa1-3DManpa1-2DManpa1-2[DManpa1-6]DManpa1-3[DManpa1-3[DManpa1-3DManpa1-2DManpa1-6]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[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[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[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)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[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

ZQDFUALDVWAFQC-ZKMBIAMHSA-N

InCHI

InChI=1S/C82H138N2O66/c1-16(95)83-31-44(108)61(26(11-93)129-70(31)125)142-71-32(84-17(2)96)45(109)62(27(12-94)138-71)143-79-60(124)66(147-82-69(52(116)39(103)28(141-82)13-126-72-53(117)46(110)33(97)18(3-85)130-72)150-81-68(51(115)38(102)23(8-90)137-81)149-78-59(123)64(41(105)25(10-92)135-78)145-75-55(119)48(112)35(99)20(5-87)132-75)43(107)30(140-79)14-127-73-57(121)65(146-76-56(120)49(113)36(100)21(6-88)133-76)42(106)29(139-73)15-128-80-67(50(114)37(101)22(7-89)136-80)148-77-58(122)63(40(104)24(9-91)134-77)144-74-54(118)47(111)34(98)19(4-86)131-74/h18-82,85-94,97-125H,3-15H2,1-2H3,(H,83,95)(H,84,96)/t18-,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-,77-,78-,79+,80+,81-,82-/m1/s1