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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-STR018732
GlyTouCan
G59180UX
version 2
Glycan Information
Glyco Tree
get Image
Composition
HexNAc 1 dHex 2
Mass Value Search
GalNAc 1 Rha 2
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
AAJCMLMPKXXXJD-HGOXBPQZSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
5
N
O
1
4
/
c
1
-
5
-
1
0
(
2
4
)
1
3
(
2
7
)
1
4
(
2
8
)
1
9
(
3
1
-
5
)
3
5
-
1
7
-
1
1
(
2
5
)
6
(
2
)
3
2
-
2
0
(
1
5
(
1
7
)
2
9
)
3
4
-
1
6
-
9
(
2
1
-
7
(
3
)
2
3
)
1
8
(
3
0
)
3
3
-
8
(
4
-
2
2
)
1
2
(
1
6
)
2
6
/
h
5
-
6
,
8
-
2
0
,
2
2
,
2
4
-
3
0
H
,
4
H
2
,
1
-
3
H
3
,
(
H
,
2
1
,
2
3
)
/
t
5
-
,
6
-
,
8
-
,
9
-
,
1
0
-
,
1
1
-
,
1
2
+
,
1
3
+
,
1
4
+
,
1
5
+
,
1
6
-
,
1
7
+
,
1
8
-
,
1
9
-
,
2
0
-
/
m
1
/
s
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SMILES
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
513.2057 (A
n=2
)
= 221.0899+
A[146.0579]
n=2
513.4962 (A
n=2
)
= 221.2102+
A[146.143]
n=2
Permethylated
Oligosaccharides
639.3465 (A
n=2
)
= 291.1681+
A[174.0892]
n=2
639.7382 (A
n=2
)
= 291.3446+
A[174.1968]
n=2
Peracetylated
Oligosaccharides
849.2902 (A
n=2
)
= 389.1322+
A[230.079]
n=2
849.7944 (A
n=2
)
= 389.3592+
A[230.2176]
n=2
External Links
GlycomeDB
(Structure)
GlycomeDB
27411
27411
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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