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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-STR025541
GlyTouCan
G52569WK
version 2
Glycan Information
Glyco Tree
get Image
Composition
Hex 1 HexA 1 dHex 1
Mass Value Search
Gal 1 GlcA 1 Rha 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
PUHUMLABNIPXAQ-XCXLTVEPSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
0
O
1
6
/
c
1
-
3
-
5
(
1
9
)
7
(
2
1
)
1
1
(
2
5
)
1
8
(
3
1
-
3
)
3
3
-
1
3
-
9
(
2
3
)
1
2
(
2
6
)
1
7
(
3
4
-
1
4
(
1
3
)
1
5
(
2
7
)
2
8
)
3
0
-
2
-
4
-
6
(
2
0
)
8
(
2
2
)
1
0
(
2
4
)
1
6
(
2
9
)
3
2
-
4
/
h
3
-
1
4
,
1
6
-
2
6
,
2
9
H
,
2
H
2
,
1
H
3
,
(
H
,
2
7
,
2
8
)
/
t
3
-
,
4
+
,
5
-
,
6
-
,
7
+
,
8
-
,
9
+
,
1
0
+
,
1
1
+
,
1
2
+
,
1
3
-
,
1
4
-
,
1
6
+
,
1
7
+
,
1
8
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)O[C@@H]2C(O)=O)[C@H](O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
502.1533
502.4265
Permethylated
Oligosaccharides
642.3099
642.6953
Peracetylated
Oligosaccharides
880.2484
880.7621
External Links
GlycomeDB
(Structure)
GlycomeDB
4587
4587
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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