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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-STR028321
GlyTouCan
G03541TM
version 2
Glycan Information
Glyco Tree
get Image
Composition
Pen 1 dHex 3
Mass Value Search
Rha 3 Xyl 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CADBJHMCYVBEAR-VRPAZUDESA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
3
H
4
0
O
1
7
/
c
1
-
5
-
9
(
2
5
)
1
1
(
2
7
)
1
4
(
3
0
)
2
1
(
3
5
-
5
)
3
8
-
1
7
-
6
(
2
)
3
6
-
2
2
(
1
5
(
3
1
)
1
2
(
1
7
)
2
8
)
3
9
-
1
8
-
7
(
3
)
3
7
-
2
3
(
1
6
(
3
2
)
1
3
(
1
8
)
2
9
)
4
0
-
1
9
-
1
0
(
2
6
)
8
(
2
4
)
4
-
3
4
-
2
0
(
1
9
)
3
3
/
h
5
-
3
3
H
,
4
H
2
,
1
-
3
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
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@H]4[C@H](O)OC[C@@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
588.2265 (A
n=2
)
= 296.1107+
A[146.0579]
n=2
588.5603 (A
n=2
)
= 296.2743+
A[146.143]
n=2
Permethylated
Oligosaccharides
728.3831 (A
n=2
)
= 380.2047+
A[174.0892]
n=2
728.8293 (A
n=2
)
= 380.4357+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
1008.332 (A
n=2
)
= 548.174+
A[230.079]
n=2
1008.9333 (A
n=2
)
= 548.4981+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
7206
7206
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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