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ChEBI
> Main
CHEBI:145627 - β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc
Main
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ChEBI Name
β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc
ChEBI ID
CHEBI:145627
ChEBI ASCII Name
beta-D-Glcp-(1->3)-alpha-D-GlcpNAc
Definition
An amino disaccharide that is an
N
-acetyl-α-
D
-glucosamine in which the hydroxy group at position 3 has been converted into the corresponding β-
D
-glucopyranoside.
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
C14H25NO11
Net Charge
0
Average Mass
383.350
Monoisotopic Mass
383.14276
InChI
InChI=1S/C14H25NO11/c1-
4(18)
15-
7-
12(9(20)
6(3-
17)
24-
13(7)
23)
26-
14-
11(22)
10(21)
8(19)
5(2-
16)
25-
14/h5-
14,16-
17,19-
23H,2-
3H2,1H3,(H,15,18)
/t5-
,6-
,7-
,8-
,9-
,10+,11-
,12-
,13+,14+/m1/s1
InChIKey
HMQPEDMEOBLSQB-JVWNEXKKSA-N
SMILES
O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO
ChEBI Ontology
Outgoing
β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc (
CHEBI:145627
)
is a
β-
D
-glucoside (
CHEBI:22798
)
β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc (
CHEBI:145627
)
is a
acetamides (
CHEBI:22160
)
β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc (
CHEBI:145627
)
is a
amino disaccharide (
CHEBI:22480
)
β-
D
-Glc
p
-(1→3)-α-
D
-Glc
p
NAc (
CHEBI:145627
)
is a
glycosylglucose derivative (
CHEBI:63361
)
IUPAC Name
2-
acetamido-
2-
deoxy-
3-
O
-
β-
D
-
glucopyranosyl-
α-
D
-
glucopyranose
Synonyms
Sources
Glc(b1-3)a-GlcNAc
IUPAC
N
-
[(2
S
,3
R
,4
R
,5
S
,6
R
)-
2,5-
dihydroxy-
6-
(hydroxymethyl)-
4-
[(2
R
,3
R
,4
S
,5
S
,6
R
)-
3,4,5-
trihydroxy-
6-
(hydroxymethyl)oxan-
2-
yl]oxyoxan-
3-
yl]acetamide
IUPAC
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2/a3-b1
SUBMITTER
Manual Xrefs
Databases
G67600YJ
GlyTouCan
G67600YJ
GlyGen
View more database links
Last Modified
02 June 2020