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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-STR005880
GlyTouCan
G53456SB
version 2
Glycan Information
Glyco Tree
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Composition
Hex 2 dHex 1
Mass Value Search
Fuc 1 Gal 1 Glc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
WJPIUUDKRHCAEL-JQIPWJQOSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
5
/
c
1
-
4
-
7
(
2
1
)
9
(
2
3
)
1
1
(
2
5
)
1
7
(
2
9
-
4
)
3
3
-
1
5
-
1
3
(
2
7
)
1
6
(
2
8
)
3
0
-
6
(
3
-
2
0
)
1
4
(
1
5
)
3
2
-
1
8
-
1
2
(
2
6
)
1
0
(
2
4
)
8
(
2
2
)
5
(
2
-
1
9
)
3
1
-
1
8
/
h
4
-
2
8
H
,
2
-
3
H
2
,
1
H
3
/
t
4
-
,
5
-
,
6
-
,
7
+
,
8
-
,
9
+
,
1
0
+
,
1
1
-
,
1
2
-
,
1
3
-
,
1
4
+
,
1
5
-
,
1
6
+
,
1
7
-
,
1
8
-
/
m
1
/
s
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SMILES
C[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[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
488.174
488.443
Permethylated
Oligosaccharides
628.3307
628.7118
Peracetylated
Oligosaccharides
908.2797
908.8158
Glycan Motifs
Motif ID
Structure / SubStructure Name
Note
JCGG-MOTIF4061
Galactosylceramide
Reducing Terminal
External Links
GlycomeDB
(Structure)
GlycomeDB
15386
15386
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
Glycan Motifs
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