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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-STR026665
GlyTouCan
G02682HR
version 2
Glycan Information
Glyco Tree
get Image
Composition
Hex 3 Pen 1
Mass Value Search
Ara 1 Glc 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
VDCSMFJRJWYLSW-AIJOZVPFSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
3
H
4
0
O
2
0
/
c
2
4
-
1
-
5
-
9
(
2
7
)
1
5
(
3
3
)
2
1
(
3
9
-
5
)
3
7
-
4
-
8
-
1
0
(
2
8
)
1
1
(
2
9
)
1
6
(
3
4
)
2
2
(
4
1
-
8
)
4
3
-
1
9
-
7
(
3
-
2
6
)
4
0
-
2
3
(
1
7
(
3
5
)
1
3
(
1
9
)
3
1
)
4
2
-
1
8
-
6
(
2
-
2
5
)
3
8
-
2
0
(
3
6
)
1
4
(
3
2
)
1
2
(
1
8
)
3
0
/
h
5
-
3
6
H
,
1
-
4
H
2
/
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
+
/
m
0
/
s
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SMILES
OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
636.2112 (A
n=2
)
= 312.1056+
A[162.0528]
n=2
636.5585 (A
n=2
)
= 312.2737+
A[162.1424]
n=2
Permethylated
Oligosaccharides
818.4147 (A
n=2
)
= 410.2153+
A[204.0997]
n=2
818.9079 (A
n=2
)
= 410.4619+
A[204.223]
n=2
Peracetylated
Oligosaccharides
1182.3485 (A
n=2
)
= 606.1795+
A[288.0845]
n=2
1183.0432 (A
n=2
)
= 606.5347+
A[288.2542]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
5652
5652
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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