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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-STR025312
GlyTouCan
G74828FF
version 2
Glycan Information
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Composition
Hex 1 HexA 2
Mass Value Search
Glc 1 GlcA 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
LOLLKBQFFHLHBX-CEKLUYRVSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
2
8
O
1
8
/
c
1
9
-
1
-
2
-
3
(
2
0
)
4
(
2
1
)
8
(
2
5
)
1
7
(
3
2
-
2
)
3
4
-
1
0
-
7
(
2
4
)
9
(
2
6
)
1
8
(
3
6
-
1
3
(
1
0
)
1
5
(
2
9
)
3
0
)
3
5
-
1
2
-
6
(
2
3
)
5
(
2
2
)
1
1
(
1
4
(
2
7
)
2
8
)
3
3
-
1
6
(
1
2
)
3
1
/
h
2
-
1
3
,
1
6
-
2
6
,
3
1
H
,
1
H
2
,
(
H
,
2
7
,
2
8
)
(
H
,
2
9
,
3
0
)
/
t
2
-
,
3
-
,
4
+
,
5
+
,
6
+
,
7
-
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
-
,
1
3
+
,
1
6
-
,
1
7
-
,
1
8
-
/
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](O[C@H]3[C@H](O)O[C@@H]([C@@H](O)[C@@H]3O)C(O)=O)O[C@@H]2C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
532.1275
532.4094
Permethylated
Oligosaccharides
686.2997
686.7052
Peracetylated
Oligosaccharides
910.2226
910.7449
External Links
GlycomeDB
(Structure)
GlycomeDB
4362
4362
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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