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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-STR029155
GlyTouCan
G15573DW
version 2
Glycan Information
Glyco Tree
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Composition
Hex 3
Mass Value Search
Glc 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
XJCCHWKNFMUJFE-JTCQMAGDSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
4
O
1
6
/
c
1
9
-
1
-
5
(
2
3
)
9
(
2
5
)
1
5
(
6
(
2
4
)
2
-
2
0
)
3
3
-
1
8
-
1
4
(
3
0
)
1
2
(
2
8
)
1
6
(
8
(
4
-
2
2
)
3
2
-
1
8
)
3
4
-
1
7
-
1
3
(
2
9
)
1
1
(
2
7
)
1
0
(
2
6
)
7
(
3
-
2
1
)
3
1
-
1
7
/
h
5
-
3
0
H
,
1
-
4
H
2
/
t
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
OC[C@H](O)[C@@H](O)[C@H](O[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)[C@H](O)CO
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
522.1795 (A
n=2
)
= 198.0739+
A[162.0528]
n=2
522.4576 (A
n=2
)
= 198.1728+
A[162.1424]
n=2
Permethylated
Oligosaccharides
704.3829 (A
n=2
)
= 296.1835+
A[204.0997]
n=2
704.807 (A
n=2
)
= 296.361+
A[204.223]
n=2
Peracetylated
Oligosaccharides
1068.3169 (A
n=2
)
= 492.1479+
A[288.0845]
n=2
1068.9422 (A
n=2
)
= 492.4338+
A[288.2542]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
798
798
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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