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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-STR025571
GlyTouCan
G85942XX
version 2
Glycan Information
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Composition
HexNAc 1 dHex 2
Mass Value Search
Fuc 2 GlcNAc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
QWMBCXXPKLTISL-IXDWZORUSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
5
N
O
1
4
/
c
1
-
5
-
1
0
(
2
4
)
1
3
(
2
7
)
1
5
(
2
9
)
1
9
(
3
1
-
5
)
3
5
-
1
7
-
1
4
(
2
8
)
1
1
(
2
5
)
6
(
2
)
3
2
-
2
0
(
1
7
)
3
4
-
1
6
-
8
(
4
-
2
2
)
3
3
-
1
8
(
3
0
)
9
(
1
2
(
1
6
)
2
6
)
2
1
-
7
(
3
)
2
3
/
h
5
-
6
,
8
-
2
0
,
2
2
,
2
4
-
3
0
H
,
4
H
2
,
1
-
3
H
3
,
(
H
,
2
1
,
2
3
)
/
t
5
-
,
6
+
,
8
+
,
9
+
,
1
0
+
,
1
1
-
,
1
2
+
,
1
3
+
,
1
4
-
,
1
5
-
,
1
6
+
,
1
7
+
,
1
8
+
,
1
9
-
,
2
0
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
513.2057
513.4962
Permethylated
Oligosaccharides
639.3466
639.7382
Peracetylated
Oligosaccharides
849.2902
849.7945
External Links
GlycomeDB
(Structure)
GlycomeDB
4613
4613
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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