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ChEBI
> Main
CHEBI:148945 - Δ
4
-
β-
D
-
Glc
p
A-
(1→4)-
α-
D
-
Glc
p
NAc6S
Main
ChEBI Ontology
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ChEBI Name
Δ
4
-
β-
D
-
Glc
p
A-
(1→4)-
α-
D
-
Glc
p
NAc6S
ChEBI ID
CHEBI:148945
ChEBI ASCII Name
Delta(4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNAc6S
Definition
A Δ
4
-β-
D
-Glc
p
A-(1→4)-
D
-Glc
p
in which the the carbon bearing the anomeric hydroxy group has α- configuration.
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
C14H21NO15S
Net Charge
0
Average Mass
475.370
Monoisotopic Mass
475.06319
InChI
InChI=1S/C14H21NO15S/c1-
3(16)
15-
5-
6(17)
10(4(28-
13(5)
23)
2-
27-
31(24,25)
26)
29-
14-
9(20)
7(18)
8(19)
11(30-
14)
12(21)
22/h4-
7,9-
10,13-
14,17-
20,23H,2H2,1H3,(H,15,16)
(H,21,22)
(H,24,25,26)
/t4-
,5-
,6-
,7+,9-
,10-
,13+,14-
/m1/s1
InChIKey
IYSOGZMXTXLBGK-IGBVQBHASA-N
SMILES
O1[C@@H]([C@@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O)COS(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
Δ
4
-
β-
D
-
Glc
p
A-
(1→4)-
α-
D
-
Glc
p
NAc6S (
CHEBI:148945
)
is a
Δ
4
-β-
D
-Glc
p
A-(1→4)-
D
-Glc
p
NAc6S (
CHEBI:148840
)
IUPAC Name
2-
acetamido-
2-
deoxy-
4-
O
-
α-
L
-
threo
-
hex-
4-
enopyranuronosyl-
6-
O
-
sulfo-
α-
D
-
glucopyranose
Synonyms
Sources
(2
R
,3
R
,4
R
)-
2-
[(2
R
,3
S
,4
R
,5
R
,6
S
)-
5-
acetamido-
4,6-
dihydroxy-
2-
(sulfooxymethyl)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-1a_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a4-b1
SUBMITTER
Manual Xrefs
Databases
G24621KS
GlyTouCan
G24621KS
GlyGen
View more database links
Last Modified
25 May 2020