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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-STR005158
GlyTouCan
G69774ND
version 2
Glycan Information
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Composition
Hex 4 HexNAc 4 Neu5Ac 1 dHex 3
Mass Value Search
Fuc 3 Gal 4 GalNAc 1 GlcNAc 3 Neu5Ac 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
SJBDRKVOWCCIAR-PQZZDMKYSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
8
5
H
1
4
1
N
5
O
6
1
/
c
1
-
1
9
-
4
2
(
1
0
6
)
5
1
(
1
1
5
)
5
5
(
1
1
9
)
7
7
(
1
3
0
-
1
9
)
1
4
5
-
6
7
-
3
9
(
8
8
-
2
4
(
6
)
1
0
1
)
7
4
(
1
2
9
-
1
8
-
3
6
-
5
0
(
1
1
4
)
6
5
(
3
8
(
7
3
(
1
2
6
)
1
3
3
-
3
6
)
8
7
-
2
3
(
5
)
1
0
0
)
1
4
4
-
8
3
-
6
1
(
1
2
5
)
7
2
(
4
9
(
1
1
3
)
3
2
(
1
4
-
9
5
)
1
3
7
-
8
3
)
1
5
1
-
8
5
(
8
4
(
1
2
7
)
1
2
8
)
9
-
2
7
(
1
0
4
)
3
7
(
8
6
-
2
2
(
4
)
9
9
)
6
6
(
1
5
0
-
8
5
)
4
5
(
1
0
9
)
2
8
(
1
0
5
)
1
0
-
9
CompositionDescriptors Computed from Structure
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