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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-STR002753
GlyTouCan
G31878NB
version 2
Glycan Information
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Composition
Hex 2 dHex 1
Mass Value Search
Glc 2 Rha 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
GREGRNKQFACFNF-INTUXYIZSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
5
/
c
1
-
4
-
1
4
(
9
(
2
3
)
1
1
(
2
5
)
1
6
(
2
8
)
2
9
-
4
)
3
2
-
1
8
-
1
3
(
2
7
)
1
0
(
2
4
)
1
5
(
6
(
3
-
2
0
)
3
1
-
1
8
)
3
3
-
1
7
-
1
2
(
2
6
)
8
(
2
2
)
7
(
2
1
)
5
(
2
-
1
9
)
3
0
-
1
7
/
h
4
-
2
8
H
,
2
-
3
H
2
,
1
H
3
/
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
0
/
s
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SMILES
C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
488.174 (A
n=2
)
= 164.0684+
A[162.0528]
n=2
488.443 (A
n=2
)
= 164.1582+
A[162.1424]
n=2
Permethylated
Oligosaccharides
628.3305 (A
n=2
)
= 220.1311+
A[204.0997]
n=2
628.7118 (A
n=2
)
= 220.2658+
A[204.223]
n=2
Peracetylated
Oligosaccharides
908.2797 (A
n=2
)
= 332.1107+
A[288.0845]
n=2
908.8158 (A
n=2
)
= 332.3074+
A[288.2542]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
12530
12530
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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