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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-STR001366
GlyTouCan
G08721VU
version 2
Glycan Information
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Composition
Hex 1 HexA 1 Pen 1
Mass Value Search
Ara 1 Gal 1 GlcA 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
HJJXQDAUQDKVSD-BQUPHOHVSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
7
H
2
8
O
1
6
/
c
1
8
-
1
-
3
-
5
(
2
0
)
7
(
2
2
)
9
(
2
4
)
1
7
(
2
9
-
3
)
3
3
-
1
2
-
1
0
(
2
5
)
1
1
(
1
3
(
1
4
(
2
6
)
2
7
)
3
1
-
1
5
(
1
2
)
2
8
)
3
2
-
1
6
-
8
(
2
3
)
6
(
2
1
)
4
(
2
-
1
9
)
3
0
-
1
6
/
h
3
-
1
3
,
1
5
-
2
5
,
2
8
H
,
1
-
2
H
2
,
(
H
,
2
6
,
2
7
)
/
t
3
-
,
4
+
,
5
+
,
6
+
,
7
+
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
-
,
1
3
+
,
1
5
-
,
1
6
+
,
1
7
+
/
m
1
/
s
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SMILES
OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)O[C@@H]2C(O)=O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
488.1377
488.3996
Permethylated
Oligosaccharides
628.2943
628.6685
Peracetylated
Oligosaccharides
866.2328
866.7352
External Links
GlycomeDB
(Structure)
GlycomeDB
11238
11238
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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