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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-STR005728
GlyTouCan
G03830EA
version 2
Glycan Information
Glyco Tree
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Composition
Hex 2 HexNAc 1
Mass Value Search
Gal 2 GalNAc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
WHXJQHKWZCXETF-OFHFYRCUSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
7
N
O
1
6
/
c
1
-
6
(
2
6
)
2
1
-
7
(
2
-
2
2
)
1
7
(
1
1
(
2
8
)
8
(
2
7
)
3
-
2
3
)
3
6
-
2
0
-
1
6
(
3
3
)
1
8
(
1
3
(
3
0
)
1
0
(
5
-
2
5
)
3
5
-
2
0
)
3
7
-
1
9
-
1
5
(
3
2
)
1
4
(
3
1
)
1
2
(
2
9
)
9
(
4
-
2
4
)
3
4
-
1
9
/
h
7
-
2
0
,
2
2
-
2
5
,
2
7
-
3
3
H
,
2
-
5
H
2
,
1
H
3
,
(
H
,
2
1
,
2
6
)
/
t
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
CC(=O)N[C@@H](CO)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@@H](O)[C@H](O)CO
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
563.2061 (A
n=2
)
= 239.1005+
A[162.0528]
n=2
563.5102 (A
n=2
)
= 239.2254+
A[162.1424]
n=2
Permethylated
Oligosaccharides
745.4094 (A
n=2
)
= 337.21+
A[204.0997]
n=2
745.8596 (A
n=2
)
= 337.4136+
A[204.223]
n=2
Peracetylated
Oligosaccharides
1067.3329 (A
n=2
)
= 491.1639+
A[288.0845]
n=2
1067.9574 (A
n=2
)
= 491.449+
A[288.2542]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
15237
15237
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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