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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-STR025108
GlyTouCan
G02927KK
version 2
Glycan Information
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Composition
dHex 3
Mass Value Search
Rha 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
PLKWDGDBKUZTFA-NAVBLJQLSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
3
/
c
1
-
4
-
7
(
1
9
)
1
0
(
2
2
)
1
1
(
2
3
)
1
7
(
2
8
-
4
)
3
1
-
1
5
-
9
(
2
1
)
6
(
3
)
2
9
-
1
8
(
1
3
(
1
5
)
2
5
)
3
0
-
1
4
-
8
(
2
0
)
5
(
2
)
2
7
-
1
6
(
2
6
)
1
2
(
1
4
)
2
4
/
h
4
-
2
6
H
,
1
-
3
H
3
/
t
4
-
,
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
+
,
1
1
+
,
1
2
+
,
1
3
+
,
1
4
+
,
1
5
+
,
1
6
+
,
1
7
-
,
1
8
-
/
m
1
/
s
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SMILES
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@H]3[C@H](O)[C@@H](C)O[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
456.1842 (A
n=2
)
= 164.0684+
A[146.0579]
n=2
456.4442 (A
n=2
)
= 164.1582+
A[146.143]
n=2
Permethylated
Oligosaccharides
568.3095 (A
n=2
)
= 220.1311+
A[174.0892]
n=2
568.6594 (A
n=2
)
= 220.2658+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
792.2687 (A
n=2
)
= 332.1107+
A[230.079]
n=2
792.7426 (A
n=2
)
= 332.3074+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
4174
4174
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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