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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-STR002102
GlyTouCan
G63171YK
version 2
Glycan Information
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Composition
Hex 1 HexNAc 1 dHex 1
Mass Value Search
Glc 1 ManNAc 1 Rha 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
GOTDRZUMSCOUGH-DIBSEEQNSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
5
N
O
1
5
/
c
1
-
5
-
1
6
(
3
5
-
1
9
-
9
(
2
1
-
6
(
2
)
2
4
)
1
2
(
2
7
)
1
0
(
2
5
)
7
(
3
-
2
2
)
3
3
-
1
9
)
1
7
(
1
5
(
3
0
)
1
8
(
3
1
)
3
2
-
5
)
3
6
-
2
0
-
1
4
(
2
9
)
1
3
(
2
8
)
1
1
(
2
6
)
8
(
4
-
2
3
)
3
4
-
2
0
/
h
5
,
7
-
2
0
,
2
2
-
2
3
,
2
5
-
3
1
H
,
3
-
4
H
2
,
1
-
2
H
3
,
(
H
,
2
1
,
2
4
)
/
t
5
-
,
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
C[C@@H]1O[C@@H](O)[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]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
529.2006
529.4956
Permethylated
Oligosaccharides
669.3571
669.7644
Peracetylated
Oligosaccharides
907.2956
907.831
External Links
GlycomeDB
(Structure)
GlycomeDB
11928
11928
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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