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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-STR014601
GlyTouCan
G50850NI
version 2
Glycan Information
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Composition
Neu5Ac 1
Mass Value Search
Neu5Ac 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
SQVRNKJHWKZAKO-YRMXFSIDSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
1
H
1
9
N
O
9
/
c
1
-
4
(
1
4
)
1
2
-
7
-
5
(
1
5
)
2
-
1
1
(
2
0
,
1
0
(
1
8
)
1
9
)
2
1
-
9
(
7
)
8
(
1
7
)
6
(
1
6
)
3
-
1
3
/
h
5
-
9
,
1
3
,
1
5
-
1
7
,
2
0
H
,
2
-
3
H
2
,
1
H
3
,
(
H
,
1
2
,
1
4
)
(
H
,
1
8
,
1
9
)
/
t
5
-
,
6
+
,
7
+
,
8
+
,
9
+
,
1
1
+
/
m
0
/
s
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SMILES
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
309.1059
309.2731
Permethylated
Oligosaccharides
407.2156
407.4613
Peracetylated
Oligosaccharides
519.1587
519.4596
External Links
GMDB
(MS
n
)
GMDB
OSO-000247
GlycomeDB
(Structure)
GlycomeDB
2356
2356
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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