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構造リスト
JCGGDB Glycan Structure
Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
JCGGDB ID
JCGG-STR002651
GlyTouCan
G69062OY
version 2
Glycan Information
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Composition
HexA 2 dHex 1
Mass Value Search
GlcA 2 Rha 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
VXIUVNXTWSUNHC-BSZQCYTNSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
2
8
O
1
7
/
c
1
-
2
-
3
(
1
9
)
5
(
2
1
)
1
2
(
1
6
(
3
0
)
3
1
-
2
)
3
4
-
1
8
-
1
3
(
8
(
2
4
)
7
(
2
3
)
1
1
(
3
3
-
1
8
)
1
5
(
2
8
)
2
9
)
3
5
-
1
7
-
9
(
2
5
)
4
(
2
0
)
6
(
2
2
)
1
0
(
3
2
-
1
7
)
1
4
(
2
6
)
2
7
/
h
2
-
1
3
,
1
6
-
2
5
,
3
0
H
,
1
H
3
,
(
H
,
2
6
,
2
7
)
(
H
,
2
8
,
2
9
)
/
t
2
-
,
3
-
,
4
-
,
5
+
,
6
-
,
7
-
,
8
-
,
9
+
,
1
0
-
,
1
1
-
,
1
2
+
,
1
3
+
,
1
6
+
,
1
7
-
,
1
8
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
516.1324 (A
n=2
)
= 164.0684+
A[176.032]
n=2
516.41 (A
n=2
)
= 164.1582+
A[176.1259]
n=2
Permethylated
Oligosaccharides
656.2891 (A
n=2
)
= 220.1311+
A[218.079]
n=2
656.679 (A
n=2
)
= 220.2658+
A[218.2066]
n=2
Peracetylated
Oligosaccharides
852.2171 (A
n=2
)
= 332.1107+
A[260.0532]
n=2
852.7084 (A
n=2
)
= 332.3074+
A[260.2005]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
12434
12434
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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