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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-STR025838
GlyTouCan
G85027VZ
version 2
Glycan Information
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Composition
HexA 3
Mass Value Search
ManA 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
LCLHHZYHLXDRQG-BUOBQAFFSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
2
6
O
1
9
/
c
1
9
-
1
-
2
(
2
0
)
1
0
(
1
3
(
2
6
)
2
7
)
3
6
-
1
7
(
6
(
1
)
2
4
)
3
5
-
9
-
4
(
2
2
)
7
(
2
5
)
1
8
(
3
7
-
1
2
(
9
)
1
5
(
3
0
)
3
1
)
3
4
-
8
-
3
(
2
1
)
5
(
2
3
)
1
6
(
3
2
)
3
3
-
1
1
(
8
)
1
4
(
2
8
)
2
9
/
h
1
-
1
2
,
1
6
-
2
5
,
3
2
H
,
(
H
,
2
6
,
2
7
)
(
H
,
2
8
,
2
9
)
(
H
,
3
0
,
3
1
)
/
t
1
-
,
2
-
,
3
+
,
4
+
,
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
-
,
1
1
-
,
1
2
-
,
1
6
+
,
1
7
+
,
1
8
+
/
m
0
/
s
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SMILES
O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C(O)=O)[C@H](O)[C@@H]2O)C(O)=O)[C@H](O)[C@@H]1O)C(O)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
546.1066 (A
n=2
)
= 194.0426+
A[176.032]
n=2
546.3929 (A
n=2
)
= 194.1411+
A[176.1259]
n=2
Permethylated
Oligosaccharides
700.2789 (A
n=2
)
= 264.1209+
A[218.079]
n=2
700.6888 (A
n=2
)
= 264.2756+
A[218.2066]
n=2
Peracetylated
Oligosaccharides
882.1913 (A
n=2
)
= 362.0849+
A[260.0532]
n=2
882.6913 (A
n=2
)
= 362.2903+
A[260.2005]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
4870
4870
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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