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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-STR021062
GlyTouCan
G86712SX
version 2
Glycan Information
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Composition
Hex 3 HexNAc 2 Neu5Ac 1
Mass Value Search
Gal 2 GalNAc 1 Glc 1 GlcNAc 1 Neu5Ac 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
BOTIPUGIGHVVIF-CYYUEJQVSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
4
5
H
7
5
N
3
O
3
4
/
c
1
-
1
1
(
5
5
)
4
6
-
2
1
-
1
4
(
5
8
)
4
-
4
5
(
4
4
(
7
0
)
7
1
,
8
1
-
3
5
(
2
1
)
2
4
(
6
0
)
1
5
(
5
9
)
5
-
4
9
)
8
2
-
3
8
-
3
2
(
6
8
)
4
3
(
7
6
-
2
0
(
1
0
-
5
4
)
3
4
(
3
8
)
7
8
-
4
0
-
2
2
(
4
7
-
1
2
(
2
)
5
6
)
2
8
(
6
4
)
2
5
(
6
1
)
1
6
(
6
-
5
0
)
7
3
-
4
0
)
7
7
-
3
3
-
1
9
(
9
-
5
3
)
7
5
-
4
1
(
2
3
(
2
9
(
3
3
)
6
5
)
4
8
-
1
3
(
3
)
5
7
)
7
9
-
3
7
-
2
7
(
6
3
)
1
8
(
8
-
5
2
)
7
4
-
4
2
(
3
1
(
3
7
)
6
7
)
8
0
-
CompositionDescriptors Computed from Structure
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