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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:151184 - β-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc
Main
ChEBI Ontology
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ChEBI Name
β-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc
ChEBI ID
CHEBI:151184
ChEBI ASCII Name
beta-L-thrHexpA4en-(1->4)-beta-D-GlcpNAc
Definition
An amino disaccharide consisting of a β-
L
-
threo
-hex-4-enopyranuronse residue and a 2-acetamido-2-deoxy-β-
D
-glucopyranose residue 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
C14H21NO12
Net Charge
0
Average Mass
395.317
Monoisotopic Mass
395.10638
InChI
InChI=1S/C14H21NO12/c1-
3(17)
15-
5-
6(18)
10(4(2-
16)
25-
13(5)
24)
26-
14-
9(21)
7(19)
8(20)
11(27-
14)
12(22)
23/h4-
7,9-
10,13-
14,16,18-
21,24H,2H2,1H3,(H,15,17)
(H,22,23)
/t4-
,5-
,6-
,7+,9-
,10-
,13-
,14+/m1/s1
InChIKey
AHYLVPBUHILXME-YUTXZUSBSA-N
SMILES
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2OC(C(O)=O)=C(O)[C@H](O)[C@H]2O)[C@@H]1O
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-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc (
CHEBI:151184
)
is a
acetamides (
CHEBI:22160
)
β-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc (
CHEBI:151184
)
is a
amino disaccharide (
CHEBI:22480
)
β-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc (
CHEBI:151184
)
is a
enol (
CHEBI:33823
)
β-
L
-thrHex
p
A4en-(1→4)-β-
D
-Glc
p
NAc (
CHEBI:151184
)
is a
monocarboxylic acid (
CHEBI:25384
)
IUPAC Name
2-
acetamido-
2-
deoxy-
4-
O
-
β-
L
-
threo
-
hex-
4-
enopyranuronosyl-
β-
D
-
glucopyranose
Synonyms
Sources
(2
S
,3
R
,4
R
)-
2-
[(2
R
,3
S
,4
R
,5
R
,6
R
)-
5-
acetamido-
4,6-
dihydroxy-
2-
(hydroxymethyl)oxan-
3-
yl]oxy-
3,4,5-
trihydroxy-
3,4-
dihydro-
2
H
-
pyran-
6-
carboxylic acid
IUPAC
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a21EEA-1b_1-5]/1-2/a4-b1
GlyTouCan
Manual Xrefs
Databases
G54742JQ
GlyGen
G54742JQ
GlyTouCan
View more database links
Last Modified
15 December 2020