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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-STR026399
GlyTouCan
G58167MV
version 2
Glycan Information
Glyco Tree
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Composition
Hex 3
Mass Value Search
Gal 3
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
DBTMGCOVALSLOR-DHEQJJHISA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
6
/
c
1
9
-
1
-
4
-
7
(
2
2
)
1
0
(
2
5
)
1
1
(
2
6
)
1
7
(
3
1
-
4
)
3
4
-
1
5
-
9
(
2
4
)
6
(
3
-
2
1
)
3
2
-
1
8
(
1
3
(
1
5
)
2
8
)
3
3
-
1
4
-
8
(
2
3
)
5
(
2
-
2
0
)
3
0
-
1
6
(
2
9
)
1
2
(
1
4
)
2
7
/
h
4
-
2
9
H
,
1
-
3
H
2
/
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
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
504.1689 (A
n=2
)
= 180.0633+
A[162.0528]
n=2
504.4424 (A
n=2
)
= 180.1576+
A[162.1424]
n=2
Permethylated
Oligosaccharides
658.3411 (A
n=2
)
= 250.1417+
A[204.0997]
n=2
658.738 (A
n=2
)
= 250.292+
A[204.223]
n=2
Peracetylated
Oligosaccharides
966.2852 (A
n=2
)
= 390.1162+
A[288.0845]
n=2
966.8524 (A
n=2
)
= 390.344+
A[288.2542]
n=2
Glycan Motifs
Motif ID
Structure / SubStructure Name
Note
JCGG-MOTIF4061
Galactosylceramide
Reducing Terminal
External Links
GlycomeDB
(Structure)
GlycomeDB
5402
5402
©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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