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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-STR030617
GlyTouCan
G65216PG
version 2
Glycan Information
Glyco Tree
get Image
Composition
Hex 1 dHex 2
Mass Value Search
Glc 1 Rha 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
AQKHNIMRXLQPTC-SXVLEMQMSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
2
O
1
4
/
c
1
-
4
-
7
(
2
0
)
8
(
2
1
)
1
2
(
2
5
)
1
7
(
2
8
-
4
)
3
1
-
1
4
-
5
(
2
)
2
9
-
1
8
(
1
3
(
2
6
)
1
0
(
1
4
)
2
3
)
3
2
-
1
5
-
6
(
3
-
1
9
)
3
0
-
1
6
(
2
7
)
1
1
(
2
4
)
9
(
1
5
)
2
2
/
h
4
-
2
7
H
,
3
H
2
,
1
-
2
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
0
/
s
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SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[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
472.1791 (A
n=2
)
= 180.0633+
A[146.0579]
n=2
472.4436 (A
n=2
)
= 180.1576+
A[146.143]
n=2
Permethylated
Oligosaccharides
598.3201 (A
n=2
)
= 250.1417+
A[174.0892]
n=2
598.6856 (A
n=2
)
= 250.292+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
850.2742 (A
n=2
)
= 390.1162+
A[230.079]
n=2
850.7792 (A
n=2
)
= 390.344+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
9318
9318
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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