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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-STR033096
GlyTouCan
G80190KY
version 2
Glycan Information
Glyco Tree
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Composition
Hex 2 HexNAc 1
Mass Value Search
Gal 2 GlcNAc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
QOITYCLKNIWNMP-WMAWCNDMSA-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
1
(
2
7
)
1
6
(
7
(
3
-
2
3
)
3
3
-
1
8
(
9
)
3
2
)
3
6
-
2
0
-
1
5
(
3
1
)
1
3
(
2
9
)
1
7
(
8
(
4
-
2
4
)
3
5
-
2
0
)
3
7
-
1
9
-
1
4
(
3
0
)
1
2
(
2
8
)
1
0
(
2
6
)
6
(
2
-
2
2
)
3
4
-
1
9
/
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)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
545.1955 (A
n=2
)
= 221.0899+
A[162.0528]
n=2
545.495 (A
n=2
)
= 221.2102+
A[162.1424]
n=2
Permethylated
Oligosaccharides
699.3675 (A
n=2
)
= 291.1681+
A[204.0997]
n=2
699.7906 (A
n=2
)
= 291.3446+
A[204.223]
n=2
Peracetylated
Oligosaccharides
965.3012 (A
n=2
)
= 389.1322+
A[288.0845]
n=2
965.8676 (A
n=2
)
= 389.3592+
A[288.2542]
n=2
ID History Deleted Version
JCGG-STR033237(3)
External Links
JCGG
JCGG
JGD-000371
JGD-000371
JCGG
JGD-000145
JGD-000145
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMassID History Deleted Version
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