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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-STR005691
GlyTouCan
G96394RN
version 2
Glycan Information
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Composition
Hex 1 Pen 3
Mass Value Search
Gal 1 Xyl 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
LRMLIOADVGFMLN-ZSWLPTNISA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
1
H
3
6
O
1
8
/
c
2
2
-
1
-
7
-
1
6
(
1
5
(
3
1
)
1
7
(
1
8
(
3
2
)
3
6
-
7
)
3
9
-
2
0
-
1
3
(
2
9
)
1
0
(
2
6
)
6
(
2
4
)
3
-
3
4
-
2
0
)
3
8
-
2
1
-
1
4
(
3
0
)
1
1
(
2
7
)
8
(
4
-
3
5
-
2
1
)
3
7
-
1
9
-
1
2
(
2
8
)
9
(
2
5
)
5
(
2
3
)
2
-
3
3
-
1
9
/
h
5
-
3
2
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
+
,
1
9
+
,
2
0
+
,
2
1
+
/
m
1
/
s
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SMILES
OC[C@@H]1O[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O[C@@H]2OC[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
576.1902 (A
n=2
)
= 312.1056+
A[132.0423]
n=2
576.5059 (A
n=2
)
= 312.2737+
A[132.1161]
n=2
Permethylated
Oligosaccharides
730.3625 (A
n=2
)
= 410.2153+
A[160.0736]
n=2
730.8017 (A
n=2
)
= 410.4619+
A[160.1699]
n=2
Peracetylated
Oligosaccharides
1038.3063 (A
n=2
)
= 606.1795+
A[216.0634]
n=2
1038.9161 (A
n=2
)
= 606.5347+
A[216.1907]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
15203
15203
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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