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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-STR005805
GlyTouCan
G98135ER
version 2
Glycan Information
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Composition
Hex 2 HexNAc 1
Mass Value Search
GlcNAc 1 Man 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
QIYTVETVXJSOTP-AWJZKMRBSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
5
N
O
1
6
/
c
1
-
5
(
2
5
)
2
1
-
9
-
1
2
(
2
8
)
1
0
(
2
6
)
6
(
2
-
2
2
)
3
4
-
1
9
(
9
)
3
6
-
1
6
-
8
(
4
-
2
4
)
3
5
-
2
0
(
1
4
(
3
0
)
1
3
(
1
6
)
2
9
)
3
7
-
1
7
-
1
1
(
2
7
)
7
(
3
-
2
3
)
3
3
-
1
8
(
3
2
)
1
5
(
1
7
)
3
1
/
h
6
-
2
0
,
2
2
-
2
4
,
2
6
-
3
2
H
,
2
-
4
H
2
,
1
H
3
,
(
H
,
2
1
,
2
5
)
/
t
6
-
,
7
-
,
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
1
/
s
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SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@H]2O)O[C@@H]1CO
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
545.1955
545.495
Permethylated
Oligosaccharides
699.3678
699.7906
Peracetylated
Oligosaccharides
965.3012
965.8677
External Links
GlycomeDB
(Structure)
GlycomeDB
15307
15307
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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