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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:65099 - α-Neu
p
5Ac-(2→8)-β-Neu
p
5Ac
Main
ChEBI Ontology
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ChEBI Name
α-Neu
p
5Ac-(2→8)-β-Neu
p
5Ac
ChEBI ID
CHEBI:65099
ChEBI ASCII Name
alpha-Neup5Ac-(2->8)-beta-Neup5Ac
Definition
α-Neu5Ac-(2→8)-Neu5Ac in which the configuration at the anomeric carbon atom of the residue at the reducing end is β.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H36N2O17
Net Charge
0
Average Mass
600.52440
Monoisotopic Mass
600.20140
InChI
InChI=1S/C22H36N2O17/c1-
7(27)
23-
13-
9(29)
3-
21(38,19(34)
35)
40-
18(13)
16(33)
12(6-
26)
39-
22(20(36)
37)
4-
10(30)
14(24-
8(2)
28)
17(41-
22)
15(32)
11(31)
5-
25/h9-
18,25-
26,29-
33,38H,3-
6H2,1-
2H3,(H,23,27)
(H,24,28)
(H,34,35)
(H,36,37)
/t9-
,10-
,11+,12+,13+,14+,15+,16+,17+,18+,21-
,22+/m0/s1
InChIKey
LWXBZLHHWJUOSV-CWRSNZJLSA-N
SMILES
[H]
[C@]
1(O[C@@]
(O)
(C[C@H]
(O)
[C@H]
1NC(C)
=O)
C(O)
=O)
[C@H]
(O)
[C@@H]
(CO)
O[C@@]
1(C[C@H]
(O)
[C@@H]
(NC(C)
=O)
[C@@]
([H]
)
(O1)
[C@H]
(O)
[C@H]
(O)
CO)
C(O)
=O
Roles Classification
Biological Role
(s):
epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
α-Neu
p
5Ac-(2→8)-β-Neu
p
5Ac (
CHEBI:65099
)
has role
epitope (
CHEBI:53000
)
α-Neu
p
5Ac-(2→8)-β-Neu
p
5Ac (
CHEBI:65099
)
is a
α-Neu5Ac-(2→8)-Neu5Ac (
CHEBI:62078
)
IUPAC Names
(6
R
)-
5-
acetamido-
6-
[(1
S
,2
R
)-
2-
({(6
R
)-
5-
acetamido-
3,5-
dideoxy-
6-
[(1
R
,2
R
)-
1,2,3-
trihydroxypropyl]-
β-
L
-
threo
-
hex-
2-
ulopyranonosyl}oxy)-
1,3-
dihydroxypropyl]-
3,5-
dideoxy-
α-
L
-
threo
-
hex-
2-
ulopyranosonic acid
5-
acetamido-
3,5-
dideoxy-
D
-
glycero
-
α-
D
-
galacto
-
non-
2-
ulopyranonosyl-
(2→8)-
5-
acetamido-
3,5-
dideoxy-
D
-
glycero
-
β-
D
-
galacto
-
non-
2-
ulopyranosonic acid
Synonyms
Sources
α-Neu5Ac-(2→8)-β-Neu5Ac
ChEBI
Neu5Acα2-8Neu5Acβ
ChEBI
NeuAc(α2-8)NeuAcβ
ChEBI
NeuAc(α2→8)NeuAcβ
ChEBI
WURCS=2.0/2,2,1/[Aad21122h-2b_2-6_5*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a8-b2
GlyTouCan
Manual Xrefs
Databases
G50645ZL
GlyTouCan
G50645ZL
GlyGen
View more database links
Registry Number
Type
Source
7065587
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19443021
PubMed citation
Europe PMC
31537530
PubMed citation
Europe PMC
36988069
PubMed citation
Europe PMC
Last Modified
03 May 2023