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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-STR003259
GlyTouCan
G57629GG
version 2
Glycan Information
Glyco Tree
get Image
Composition
Hex 2 Pen 1 dHex 1
Mass Value Search
Glc 2 Rha 1 Xyl 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
VSSMUAXIVXWVGC-GREKTJHYSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
3
H
4
0
O
1
9
/
c
1
-
5
-
9
(
2
6
)
1
9
(
4
2
-
2
2
-
1
5
(
3
2
)
1
0
(
2
7
)
6
(
2
5
)
3
-
3
6
-
2
2
)
1
7
(
3
4
)
2
3
(
3
8
-
5
)
4
1
-
1
8
-
7
(
2
-
2
4
)
4
0
-
2
1
(
1
6
(
3
3
)
1
3
(
1
8
)
3
0
)
3
7
-
4
-
8
-
1
1
(
2
8
)
1
2
(
2
9
)
1
4
(
3
1
)
2
0
(
3
5
)
3
9
-
8
/
h
5
-
3
5
H
,
2
-
4
H
2
,
1
H
3
/
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
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
620.2163
620.5591
Permethylated
Oligosaccharides
788.4042
788.8817
Peracetylated
Oligosaccharides
1124.3431
1125.0065
External Links
GlycomeDB
(Structure)
GlycomeDB
13001
13001
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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