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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-STR001124
GlyTouCan
G41123BR
version 2
Glycan Information
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Composition
Pen 3
Mass Value Search
Ara 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
WQIKQTJHFOAHJJ-CNAJOZCKSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
5
H
2
6
O
1
3
/
c
1
6
-
1
-
4
-
7
(
1
9
)
1
0
(
2
2
)
1
4
(
2
5
-
4
)
2
8
-
1
2
-
9
(
2
1
)
6
(
3
-
1
8
)
2
6
-
1
5
(
1
2
)
2
7
-
1
1
-
8
(
2
0
)
5
(
2
-
1
7
)
2
4
-
1
3
(
1
1
)
2
3
/
h
4
-
2
3
H
,
1
-
3
H
2
/
t
4
-
,
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
+
,
1
3
+
,
1
4
-
,
1
5
-
/
m
1
/
s
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SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H]2O[C@@H]2[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
414.1374 (A
n=2
)
= 150.0528+
A[132.0423]
n=2
414.3635 (A
n=2
)
= 150.1313+
A[132.1161]
n=2
Permethylated
Oligosaccharides
526.2627 (A
n=2
)
= 206.1155+
A[160.0736]
n=2
526.5787 (A
n=2
)
= 206.2389+
A[160.1699]
n=2
Peracetylated
Oligosaccharides
750.2219 (A
n=2
)
= 318.0951+
A[216.0634]
n=2
750.6618 (A
n=2
)
= 318.2804+
A[216.1907]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
11013
11013
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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