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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-STR025150
GlyTouCan
G00518WX
version 2
Glycan Information
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Composition
dHex 4
Mass Value Search
Rha 4
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
YQUJBSVRHSMJRT-DEYYSOJESA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
4
H
4
2
O
1
7
/
c
1
-
5
-
9
(
2
5
)
1
3
(
2
9
)
1
5
(
3
1
)
2
2
(
3
6
-
5
)
4
1
-
2
0
-
1
4
(
3
0
)
1
0
(
2
6
)
6
(
2
)
3
8
-
2
4
(
2
0
)
4
0
-
1
9
-
1
2
(
2
8
)
8
(
4
)
3
7
-
2
3
(
1
7
(
1
9
)
3
3
)
3
9
-
1
8
-
1
1
(
2
7
)
7
(
3
)
3
5
-
2
1
(
3
4
)
1
6
(
1
8
)
3
2
/
h
5
-
3
4
H
,
1
-
4
H
3
/
t
5
-
,
6
-
,
7
-
,
8
-
,
9
-
,
1
0
-
,
1
1
-
,
1
2
-
,
1
3
+
,
1
4
+
,
1
5
+
,
1
6
+
,
1
7
+
,
1
8
+
,
1
9
+
,
2
0
+
,
2
1
+
,
2
2
-
,
2
3
-
,
2
4
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
602.2421 (A
n=2
)
= 310.1263+
A[146.0579]
n=2
602.5872 (A
n=2
)
= 310.3012+
A[146.143]
n=2
Permethylated
Oligosaccharides
742.3987 (A
n=2
)
= 394.2203+
A[174.0892]
n=2
742.8562 (A
n=2
)
= 394.4626+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
1022.3477 (A
n=2
)
= 562.1897+
A[230.079]
n=2
1022.9602 (A
n=2
)
= 562.525+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
4211
4211
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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