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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-STR001734
GlyTouCan
G16448CJ
version 2
Glycan Information
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Composition
Hex 1 HexA 1
Mass Value Search
Gal 1 GlcA 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CRWRMHLBFCWZAT-BNIMMDQMSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
2
H
2
0
O
1
2
/
c
1
3
-
1
-
2
-
3
(
1
4
)
4
(
1
5
)
5
(
1
6
)
1
2
(
2
2
-
2
)
2
4
-
8
-
6
(
1
7
)
9
(
1
0
(
1
9
)
2
0
)
2
3
-
1
1
(
2
1
)
7
(
8
)
1
8
/
h
2
-
9
,
1
1
-
1
8
,
2
1
H
,
1
H
2
,
(
H
,
1
9
,
2
0
)
/
t
2
-
,
3
+
,
4
+
,
5
-
,
6
+
,
7
-
,
8
+
,
9
+
,
1
1
-
,
1
2
+
/
m
1
/
s
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SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]([C@H]2O)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
356.0954
356.2835
Permethylated
Oligosaccharides
468.2207
468.4986
Peracetylated
Oligosaccharides
650.1694
650.5445
External Links
GlycomeDB
(Structure)
GlycomeDB
11588
11588
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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