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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-STR002508
GlyTouCan
G43746OZ
version 2
Glycan Information
Glyco Tree
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Composition
Hex 3 Pen 1
Mass Value Search
Gal 1 Glc 2 Xyl 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
DMYQZORNSOPGPT-PVWXGCHLSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
3
H
4
0
O
2
0
/
c
2
4
-
1
-
6
-
1
0
(
2
9
)
1
2
(
3
1
)
1
4
(
3
3
)
2
2
(
3
9
-
6
)
4
3
-
1
9
-
1
5
(
3
4
)
2
0
(
3
6
)
3
8
-
8
(
3
-
2
6
)
1
7
(
1
9
)
4
1
-
2
3
-
1
6
(
3
5
)
1
8
(
1
1
(
3
0
)
7
(
2
-
2
5
)
4
0
-
2
3
)
4
2
-
2
1
-
1
3
(
3
2
)
9
(
2
8
)
5
(
2
7
)
4
-
3
7
-
2
1
/
h
5
-
3
6
H
,
1
-
4
H
2
/
t
5
-
,
6
-
,
7
-
,
8
-
,
9
+
,
1
0
-
,
1
1
-
,
1
2
+
,
1
3
-
,
1
4
-
,
1
5
-
,
1
6
-
,
1
7
+
,
1
8
+
,
1
9
-
,
2
0
-
,
2
1
+
,
2
2
+
,
2
3
+
/
m
1
/
s
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SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
636.2112
636.5585
Permethylated
Oligosaccharides
818.4149
818.9079
Peracetylated
Oligosaccharides
1182.3486
1183.0431
External Links
GlycomeDB
(Structure)
GlycomeDB
12300
12300
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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