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ChEBI
> Main
CHEBI:150712 - β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A
Main
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ChEBI Name
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A
ChEBI ID
CHEBI:150712
ChEBI ASCII Name
beta-D-GlcpNAc-(1->4)-beta-D-GlcpA
Definition
An amino disaccharide consisting of 2-acetamido-β-
D
-glucopyranose and β-
D
-glucopyranuronic acid residues joined in sequence by a (1→4)-glycosidic bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Gareth Owen
Supplier Information
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Molfile
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Molfile
Formula
C14H23NO12
Net Charge
0
Average Mass
397.333
Monoisotopic Mass
397.12203
InChI
InChI=1S/C14H23NO12/c1-
3(17)
15-
5-
7(19)
6(18)
4(2-
16)
25-
14(5)
27-
10-
8(20)
9(21)
13(24)
26-
11(10)
12(22)
23/h4-
11,13-
14,16,18-
21,24H,2H2,1H3,(H,15,17)
(H,22,23)
/t4-
,5-
,6-
,7-
,8-
,9-
,10+,11+,13-
,14+/m1/s1
InChIKey
LJKKEBYAXYCTNF-GIXQJHCPSA-N
SMILES
O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2C(O)=O)O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A (
CHEBI:150712
)
has functional parent
β-
D
-glucuronic acid (
CHEBI:28860
)
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A (
CHEBI:150712
)
has functional parent
N
-acetyl-β-
D
-glucosamine (
CHEBI:28009
)
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A (
CHEBI:150712
)
is a
acetamides (
CHEBI:22160
)
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A (
CHEBI:150712
)
is a
amino disaccharide (
CHEBI:22480
)
β-
D
-Glc
p
NAc-(1→4)-β-
D
-Glc
p
A (
CHEBI:150712
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Names
4-
O
-
(2-
acetamido-
2-
deoxy-
β-
D
-
glucopyranosyl)-
β-
D
-
glucopyranuronic acid
GlcNAc(b1-4)b-GlcA
Synonyms
Sources
(2
S
,3
S
,4
R
,5
R
,6
R
)-
3-
[(2
S
,3
R
,4
R
,5
S
,6
R
)-
3-
acetamido-
4,5-
dihydroxy-
6-
(hydroxymethyl)oxan-
2-
yl]oxy-
4,5,6-
trihydroxyoxane-
2-
carboxylic acid
IUPAC
2-
acetamido-
2-
deoxy-
β-
D
-
gluco
-
hexopyranosyl-
(1→4)-
β-
D
-
gluco
-
hexopyranuronic acid
IUPAC
WURCS=2.0/2,2,1/[a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
SUBMITTER
Manual Xrefs
Databases
G42361UO
GlyGen
G42361UO
GlyTouCan
View more database links
Last Modified
02 June 2020