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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-STR002840
GlyTouCan
G94630RU
version 2
Glycan Information
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Composition
Hex 1 HexA 1 HexN 1
Mass Value Search
Gal 1 GlcA 1 GlcN 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CNCMHFISXOOWPY-MOSPMHOSSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
1
N
O
1
6
/
c
1
9
-
5
-
7
(
2
3
)
1
2
(
3
4
-
1
8
-
1
1
(
2
7
)
8
(
2
4
)
6
(
2
2
)
3
(
1
-
2
0
)
3
1
-
1
8
)
4
(
2
-
2
1
)
3
2
-
1
7
(
5
)
3
5
-
1
3
-
9
(
2
5
)
1
0
(
2
6
)
1
6
(
3
0
)
3
3
-
1
4
(
1
3
)
1
5
(
2
8
)
2
9
/
h
3
-
1
4
,
1
6
-
1
8
,
2
0
-
2
7
,
3
0
H
,
1
-
2
,
1
9
H
2
,
(
H
,
2
8
,
2
9
)
/
t
3
-
,
4
-
,
5
-
,
6
+
,
7
-
,
8
+
,
9
-
,
1
0
-
,
1
1
-
,
1
2
-
,
1
3
+
,
1
4
+
,
1
6
+
,
1
7
-
,
1
8
+
/
m
1
/
s
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SMILES
N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1C(O)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
517.1643
517.4412
Permethylated
Oligosaccharides
-
-
Peracetylated
Oligosaccharides
-
-
External Links
GlycomeDB
(Structure)
GlycomeDB
12610
12610
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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