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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-STR028151
GlyTouCan
G47618XP
version 2
Glycan Information
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Composition
Pen 4
Mass Value Search
Ara 4
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
JMJBUKBGQBNGNR-JBCQCBSXSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
4
O
1
7
/
c
2
1
-
1
-
5
-
9
(
2
5
)
1
2
(
2
8
)
1
8
(
3
2
-
5
)
3
5
-
1
4
-
8
(
4
-
2
4
)
3
4
-
1
9
(
1
3
(
1
4
)
2
9
)
3
7
-
1
6
-
1
1
(
2
7
)
7
(
3
-
2
3
)
3
3
-
2
0
(
1
6
)
3
6
-
1
5
-
1
0
(
2
6
)
6
(
2
-
2
2
)
3
1
-
1
7
(
1
5
)
3
0
/
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
+
,
1
9
+
,
2
0
+
/
m
0
/
s
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SMILES
OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@H](CO)O[C@@H]3O[C@H]3[C@@H](O)O[C@@H](CO)[C@@H]3O)O[C@H]2CO)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
546.1797 (A
n=2
)
= 282.0951+
A[132.0423]
n=2
546.4796 (A
n=2
)
= 282.2474+
A[132.1161]
n=2
Permethylated
Oligosaccharides
686.3363 (A
n=2
)
= 366.1891+
A[160.0736]
n=2
686.7486 (A
n=2
)
= 366.4088+
A[160.1699]
n=2
Peracetylated
Oligosaccharides
966.2853 (A
n=2
)
= 534.1585+
A[216.0634]
n=2
966.8526 (A
n=2
)
= 534.4712+
A[216.1907]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
705
705
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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