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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-STR024706
GlyTouCan
G59827MO
version 2
Glycan Information
Glyco Tree
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Composition
Hex 3
Mass Value Search
Gal 1 Glc 1 Man 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
XSGDQAKVXQNLMJ-UXOZNAAYSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
6
/
c
1
9
-
1
-
4
-
8
(
2
2
)
1
2
(
2
6
)
1
5
(
1
6
(
2
9
)
3
1
-
4
)
3
4
-
1
8
-
1
4
(
2
8
)
1
1
(
2
5
)
9
(
2
3
)
6
(
3
3
-
1
8
)
3
-
3
0
-
1
7
-
1
3
(
2
7
)
1
0
(
2
4
)
7
(
2
1
)
5
(
2
-
2
0
)
3
2
-
1
7
/
h
4
-
2
9
H
,
1
-
3
H
2
/
t
4
-
,
5
-
,
6
-
,
7
+
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
+
,
1
3
-
,
1
4
+
,
1
5
-
,
1
6
+
,
1
7
-
,
1
8
-
/
m
1
/
s
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SMILES
OC[C@H]1O[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
504.1689
504.4424
Permethylated
Oligosaccharides
658.3413
658.738
Peracetylated
Oligosaccharides
966.2852
966.8524
External Links
GlycomeDB
(Structure)
GlycomeDB
3802
3802
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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