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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-STR028457
GlyTouCan
G12261LX
version 2
Glycan Information
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Composition
HexA 1 Pen 1 dHex 1
Mass Value Search
GlcA 1 Rha 1 Xyl 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CJVFHHAKZUVORX-HZZBZRMRSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
7
H
2
8
O
1
5
/
c
1
-
3
-
5
(
1
8
)
7
(
2
0
)
1
1
(
2
4
)
1
7
(
2
9
-
3
)
3
0
-
4
-
2
-
2
8
-
1
6
(
1
0
(
2
3
)
6
(
4
)
1
9
)
3
2
-
1
3
-
9
(
2
2
)
8
(
2
1
)
1
2
(
1
4
(
2
5
)
2
6
)
3
1
-
1
5
(
1
3
)
2
7
/
h
3
-
1
3
,
1
5
-
2
4
,
2
7
H
,
2
H
2
,
1
H
3
,
(
H
,
2
5
,
2
6
)
/
t
3
-
,
4
+
,
5
-
,
6
-
,
7
+
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
-
,
1
3
+
,
1
5
+
,
1
6
-
,
1
7
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](O[C@H]3[C@H](O)O[C@@H]([C@@H](O)[C@@H]3O)C(O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
472.1428
472.4002
Permethylated
Oligosaccharides
598.2837
598.6423
Peracetylated
Oligosaccharides
808.2273
808.6985
External Links
GlycomeDB
(Structure)
GlycomeDB
7334
7334
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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