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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-STR021039
GlyTouCan
G60650FG
version 2
Glycan Information
Glyco Tree
get Image
Composition
Pen 4
Mass Value Search
Xyl 4
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
KPTPSLHFVHXOBZ-SVRBUABSSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
4
O
1
7
/
c
2
1
-
5
-
1
-
3
2
-
1
8
(
1
4
(
2
7
)
9
(
5
)
2
2
)
3
6
-
7
-
3
-
3
4
-
2
0
(
1
6
(
2
9
)
1
1
(
7
)
2
4
)
3
7
-
8
-
4
-
3
3
-
1
9
(
1
5
(
2
8
)
1
2
(
8
)
2
5
)
3
5
-
6
-
2
-
3
1
-
1
7
(
3
0
)
1
3
(
2
6
)
1
0
(
6
)
2
3
/
h
5
-
3
0
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
+
/
m
1
/
s
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SMILES
O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
546.1797 (A
n=3
)
= 150.0528+
A[132.0423]
n=3
546.4796 (A
n=3
)
= 150.1313+
A[132.1161]
n=3
Permethylated
Oligosaccharides
686.3363 (A
n=3
)
= 206.1155+
A[160.0736]
n=3
686.7486 (A
n=3
)
= 206.2389+
A[160.1699]
n=3
Peracetylated
Oligosaccharides
966.2853 (A
n=3
)
= 318.0951+
A[216.0634]
n=3
966.8525 (A
n=3
)
= 318.2804+
A[216.1907]
n=3
External Links
GlycomeDB
(Structure)
GlycomeDB
301
301
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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