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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-STR025615
GlyTouCan
G84721GC
version 2
Glycan Information
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Composition
Pen 1 dHex 2
Mass Value Search
Qui 2 Xyl 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
XPMCDPDYNPQVHS-XSLMXUQXSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
7
H
3
0
O
1
3
/
c
1
-
4
-
7
(
1
9
)
1
0
(
2
2
)
1
1
(
2
3
)
1
6
(
2
8
-
4
)
3
0
-
1
4
-
9
(
2
1
)
6
(
1
8
)
3
-
2
6
-
1
7
(
1
4
)
2
9
-
1
3
-
8
(
2
0
)
5
(
2
)
2
7
-
1
5
(
2
5
)
1
2
(
1
3
)
2
4
/
h
4
-
2
5
H
,
3
H
2
,
1
-
2
H
3
/
t
4
-
,
5
-
,
6
-
,
7
-
,
8
-
,
9
+
,
1
0
+
,
1
1
-
,
1
2
-
,
1
3
+
,
1
4
-
,
1
5
-
,
1
6
+
,
1
7
+
/
m
1
/
s
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SMILES
C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
442.1686
442.4173
Permethylated
Oligosaccharides
554.2939
554.6324
Peracetylated
Oligosaccharides
778.2531
778.7157
External Links
GlycomeDB
(Structure)
GlycomeDB
4653
4653
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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