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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-STR005580
GlyTouCan
G98131AZ
version 2
Glycan Information
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Composition
Hex 1 HexNAc 1
Mass Value Search
GlcNAc 1 Man 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
LPEUJULQCLQUPD-YKIXKYLVSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
4
H
2
5
N
O
1
1
/
c
1
-
4
(
1
8
)
1
5
-
7
-
1
0
(
2
1
)
8
(
1
9
)
5
(
2
-
1
6
)
2
4
-
1
3
(
7
)
2
6
-
1
4
-
1
2
(
2
3
)
1
1
(
2
2
)
9
(
2
0
)
6
(
3
-
1
7
)
2
5
-
1
4
/
h
5
-
1
4
,
1
6
-
1
7
,
1
9
-
2
3
H
,
2
-
3
H
2
,
1
H
3
,
(
H
,
1
5
,
1
8
)
/
t
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
-
,
1
1
+
,
1
2
+
,
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]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
383.1427
383.3526
Permethylated
Oligosaccharides
495.268
495.5676
Peracetylated
Oligosaccharides
677.2166
677.6134
External Links
GlycomeDB
(Structure)
GlycomeDB
15103
15103
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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