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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-STR002531
GlyTouCan
G08229OJ
version 2
Glycan Information
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Composition
HexA 1 Pen 2
Mass Value Search
GlcA 1 Xyl 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
KQSNRQIPISTLFQ-SKJAQUQASA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
6
H
2
6
O
1
5
/
c
1
7
-
3
-
1
-
2
7
-
1
5
(
7
(
2
1
)
5
(
3
)
1
9
)
3
1
-
1
2
-
6
(
2
0
)
4
(
1
8
)
2
-
2
8
-
1
6
(
1
2
)
3
0
-
1
0
-
8
(
2
2
)
1
1
(
1
3
(
2
4
)
2
5
)
2
9
-
1
4
(
2
6
)
9
(
1
0
)
2
3
/
h
3
-
1
2
,
1
4
-
2
3
,
2
6
H
,
1
-
2
H
2
,
(
H
,
2
4
,
2
5
)
/
t
3
-
,
4
-
,
5
+
,
6
+
,
7
-
,
8
+
,
9
-
,
1
0
+
,
1
1
+
,
1
2
-
,
1
4
-
,
1
5
+
,
1
6
+
/
m
1
/
s
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SMILES
O[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]([C@H]2O)C(O)=O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
458.1272
458.3733
Permethylated
Oligosaccharides
584.2681
584.6154
Peracetylated
Oligosaccharides
794.2117
794.6716
External Links
GlycomeDB
(Structure)
GlycomeDB
12321
12321
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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