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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-STR031163
GlyTouCan
G23214KL
version 2
Glycan Information
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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
HLAPSDSQUREXFM-GKYURJGQSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
4
O
1
5
/
c
1
-
5
-
9
(
2
4
)
1
2
(
2
7
)
1
4
(
2
9
)
1
7
(
3
0
-
5
)
3
3
-
1
6
-
1
3
(
2
8
)
1
1
(
2
6
)
8
(
4
-
2
1
)
3
1
-
1
8
(
1
6
)
3
2
-
1
5
(
7
(
2
3
)
3
-
2
0
)
1
0
(
2
5
)
6
(
2
2
)
2
-
1
9
/
h
5
-
2
9
H
,
2
-
4
H
2
,
1
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
-
/
m
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
506.1846
506.4582
Permethylated
Oligosaccharides
674.3725
674.7808
Peracetylated
Oligosaccharides
1010.3114
1010.9056
Glycan Motifs
Motif ID
Structure / SubStructure Name
Note
JCGG-MOTIF4100
Blood Group H Disaccharide
NON-Reducing Terminal
External Links
GlycomeDB
(Structure)
GlycomeDB
983
983
©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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