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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-STR027782
GlyTouCan
G42361UO
version 2
Glycan Information
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Composition
HexA 1 HexNAc 1
Mass Value Search
GlcA 1 GlcNAc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
LJKKEBYAXYCTNF-GIXQJHCPSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
4
H
2
3
N
O
1
2
/
c
1
-
3
(
1
7
)
1
5
-
5
-
7
(
1
9
)
6
(
1
8
)
4
(
2
-
1
6
)
2
5
-
1
4
(
5
)
2
7
-
1
0
-
8
(
2
0
)
9
(
2
1
)
1
3
(
2
4
)
2
6
-
1
1
(
1
0
)
1
2
(
2
2
)
2
3
/
h
4
-
1
1
,
1
3
-
1
4
,
1
6
,
1
8
-
2
1
,
2
4
H
,
2
H
2
,
1
H
3
,
(
H
,
1
5
,
1
7
)
(
H
,
2
2
,
2
3
)
/
t
4
-
,
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
3
-
,
1
4
+
/
m
1
/
s
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SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
397.122
397.3361
Permethylated
Oligosaccharides
509.2472
509.5512
Peracetylated
Oligosaccharides
649.1854
649.5598
External Links
GlycomeDB
(Structure)
GlycomeDB
6699
6699
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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