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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:151572 - β-
D
-Xyl
p
-(1→4)-β-
D
-Glc
p
A
Main
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ChEBI Name
β-
D
-Xyl
p
-(1→4)-β-
D
-Glc
p
A
ChEBI ID
CHEBI:151572
ChEBI ASCII Name
beta-D-Xylp-(1->4)-beta-D-GlcpA
Definition
A β-
D
-Xyl
p
-(1→4)-
D
-Glc
p
A in which the carbon bearing the anomeric hydroxy group has β 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
C11H18O11
Net Charge
0
Average Mass
326.254
Monoisotopic Mass
326.08491
InChI
InChI=1S/C11H18O11/c12-
2-
1-
20-
11(6(16)
3(2)
13)
22-
7-
4(14)
5(15)
10(19)
21-
8(7)
9(17)
18/h2-
8,10-
16,19H,1H2,(H,17,18)
/t2-
,3+,4-
,5-
,6-
,7+,8+,10-
,11+/m1/s1
InChIKey
BJARJTXSNPSJPZ-WOCSQNJBSA-N
SMILES
O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(O)=O)O)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O
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
-Xyl
p
-(1→4)-β-
D
-Glc
p
A (
CHEBI:151572
)
has functional parent
β-
D
-glucuronic acid (
CHEBI:28860
)
β-
D
-Xyl
p
-(1→4)-β-
D
-Glc
p
A (
CHEBI:151572
)
has functional parent
β-
D
-xylose (
CHEBI:28161
)
β-
D
-Xyl
p
-(1→4)-β-
D
-Glc
p
A (
CHEBI:151572
)
is a
β-
D
-Xyl
p
-(1→4)-
D
-GlcpA (
CHEBI:152782
)
IUPAC Names
4-
O
-β-
D
-xylopyranosyl-β-
D
-glucopyranuronic acid
Xyl(b1-4)b-GlcA
Synonyms
Sources
(2
S
,3
S
,4
R
,5
R
,6
R
)-
4,5,6-
trihydroxy-
3-
[(2
S
,3
R
,4
S
,5
R
)-
3,4,5-
trihydroxyoxan-
2-
yl]oxyoxane-
2-
carboxylic acid
IUPAC
β-
D
-
xylo
-
pentopyranosyl-
(1→4)-
β-
D
-
gluco
-
hexopyranuronic acid
IUPAC
WURCS=2.0/2,2,1/[a2122A-1b_1-5][a212h-1b_1-5]/1-2/a4-b1
SUBMITTER
Manual Xrefs
Databases
G51817XM
GlyTouCan
G51817XM
GlyGen
View more database links
Last Modified
15 July 2020