High-Mannose glycan structure

No image
N-Linked / High-Mannose (avg mass : 2045.8293)

3D structure from GLYCAM

Cross-references

GlyTouCan : G30505TQ

GlyGen : G30505TQ

ChEBI : 148988


Composition

Hex:10 HexNAc:2


IUPAC

Man(a1-2)Man(a1-2)[Man(a1-2)Man(a1-6)]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
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
8:6o(6+1)9d
9:9o(2+1)10d
10:5o(6+1)11d
11:11o(3+1)12d
12:11o(6+1)13d
13:13o(2+1)14d

GWS

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

Glycam

DManpa1-2DManpa1-2[DManpa1-2DManpa1-6]DManpa1-3[DManpa1-3[DManpa1-2DManpa1-6]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)O)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[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)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)NC(=O)C)O

InCHI key

UPPWIMXEGIBYPG-UTKISATLSA-N

InCHI

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