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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-STR025311
GlyTouCan
G04976OA
version 2
Glycan Information
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Composition
Hex 2 HexA 1
Mass Value Search
Glc 2 GlcA 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
MFWPHTZNTFUZIX-WSNZQHCVSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
8
H
3
0
O
1
7
/
c
1
9
-
1
-
3
-
5
(
2
1
)
6
(
2
2
)
1
0
(
2
6
)
1
7
(
3
1
-
3
)
3
4
-
1
2
-
4
(
2
-
2
0
)
3
2
-
1
8
(
1
1
(
2
7
)
8
(
1
2
)
2
4
)
3
5
-
1
3
-
7
(
2
3
)
9
(
2
5
)
1
6
(
3
0
)
3
3
-
1
4
(
1
3
)
1
5
(
2
8
)
2
9
/
h
3
-
1
4
,
1
6
-
2
7
,
3
0
H
,
1
-
2
H
2
,
(
H
,
2
8
,
2
9
)
/
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
1
/
s
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SMILES
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3C(O)=O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
518.1482 (A
n=2
)
= 194.0426+
A[162.0528]
n=2
518.4259 (A
n=2
)
= 194.1411+
A[162.1424]
n=2
Permethylated
Oligosaccharides
672.3203 (A
n=2
)
= 264.1209+
A[204.0997]
n=2
672.7216 (A
n=2
)
= 264.2756+
A[204.223]
n=2
Peracetylated
Oligosaccharides
938.2539 (A
n=2
)
= 362.0849+
A[288.0845]
n=2
938.7987 (A
n=2
)
= 362.2903+
A[288.2542]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
4361
4361
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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