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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-STR002008
GlyTouCan
G81980YA
version 2
Glycan Information
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Composition
HexA 1 dHex 2
Mass Value Search
GlcA 1 Rha 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CKRBIZDJKFAJHP-KJVJDSIHSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
0
O
1
5
/
c
1
-
3
-
5
(
1
9
)
7
(
2
1
)
1
1
(
2
5
)
1
7
(
2
9
-
3
)
3
3
-
1
4
-
8
(
2
2
)
6
(
2
0
)
4
(
2
)
3
0
-
1
8
(
1
4
)
3
2
-
1
3
-
1
0
(
2
4
)
9
(
2
3
)
1
2
(
1
5
(
2
6
)
2
7
)
3
1
-
1
6
(
1
3
)
2
8
/
h
3
-
1
4
,
1
6
-
2
5
,
2
8
H
,
1
-
2
H
3
,
(
H
,
2
6
,
2
7
)
/
t
3
-
,
4
-
,
5
-
,
6
-
,
7
+
,
8
+
,
9
-
,
1
0
-
,
1
1
+
,
1
2
-
,
1
3
+
,
1
4
+
,
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](C)O[C@H]2O[C@H]2[C@H](O)O[C@@H]([C@@H](O)[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
486.1584 (A
n=2
)
= 194.0426+
A[146.0579]
n=2
486.4271 (A
n=2
)
= 194.1411+
A[146.143]
n=2
Permethylated
Oligosaccharides
612.2993 (A
n=2
)
= 264.1209+
A[174.0892]
n=2
612.6692 (A
n=2
)
= 264.2756+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
822.2429 (A
n=2
)
= 362.0849+
A[230.079]
n=2
822.7255 (A
n=2
)
= 362.2903+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
11842
11842
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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