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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-STR024620
GlyTouCan
G36121RO
version 2
Glycan Information
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Composition
HexN 3
Mass Value Search
GlcN 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
RQFQJYYMBWVMQG-IXDPLRRUSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
5
N
3
O
1
3
/
c
1
9
-
7
-
1
2
(
2
7
)
1
4
(
5
(
2
-
2
3
)
3
0
-
1
6
(
7
)
2
9
)
3
3
-
1
8
-
9
(
2
1
)
1
3
(
2
8
)
1
5
(
6
(
3
-
2
4
)
3
2
-
1
8
)
3
4
-
1
7
-
8
(
2
0
)
1
1
(
2
6
)
1
0
(
2
5
)
4
(
1
-
2
2
)
3
1
-
1
7
/
h
4
-
1
8
,
2
2
-
2
9
H
,
1
-
3
,
1
9
-
2
1
H
2
/
t
4
-
,
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
-
,
1
1
-
,
1
2
-
,
1
3
-
,
1
4
-
,
1
5
-
,
1
6
-
,
1
7
+
,
1
8
+
/
m
1
/
s
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SMILES
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]3N)[C@H](O)[C@H]2N)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
501.2172 (A
n=2
)
= 179.0794+
A[161.0689]
n=2
501.4883 (A
n=2
)
= 179.1729+
A[161.1577]
n=2
Permethylated
Oligosaccharides
0.0 (A
n=2
)
=? +
A[ ? ]
n=2
0.0 (A
n=2
)
=? +
A[ ? ]
n=2
Peracetylated
Oligosaccharides
0.0 (A
n=2
)
=? +
A[ ? ]
n=2
0.0 (A
n=2
)
=? +
A[ ? ]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
3724
3724
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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