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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-STR026082
GlyTouCan
G38301SX
version 2
Glycan Information
Glyco Tree
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Composition
HexNAc 1 Neu5Ac 1
Mass Value Search
GalNAc 1 Neu5Ac 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
XHIXNAMJQRLYSL-CKVJJDFRSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
9
H
3
4
N
2
O
1
4
/
c
1
-
7
(
2
4
)
2
0
-
9
(
4
-
2
2
)
1
4
(
2
9
)
1
5
(
3
0
)
1
2
(
2
8
)
6
-
3
4
-
1
9
(
1
8
(
3
2
)
3
3
)
3
-
1
0
(
2
6
)
1
3
(
2
1
-
8
(
2
)
2
5
)
1
7
(
3
5
-
1
9
)
1
6
(
3
1
)
1
1
(
2
7
)
5
-
2
3
/
h
9
-
1
7
,
2
2
-
2
3
,
2
6
-
3
1
H
,
3
-
6
H
2
,
1
-
2
H
3
,
(
H
,
2
0
,
2
4
)
(
H
,
2
1
,
2
5
)
(
H
,
3
2
,
3
3
)
/
t
9
-
,
1
0
-
,
1
1
+
,
1
2
+
,
1
3
+
,
1
4
+
,
1
5
-
,
1
6
+
,
1
7
+
,
1
9
+
/
m
0
/
s
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SMILES
CC(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
530.1959
530.4833
Permethylated
Oligosaccharides
698.3837
698.8058
Peracetylated
Oligosaccharides
908.291
908.8189
External Links
GlycomeDB
(Structure)
GlycomeDB
510
510
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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