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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-STR023750
GlyTouCan
G08244HV
version 2
Glycan Information
2
6
GalNAc a-dgal-HEX-1:5 JCGG-MOTIF4020
Neu5Ac b-dgro-dgal-NON-2:6|1:a|2:keto|3:d
Glyco Tree
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Composition
HexNAc 1 Neu5Ac 1
Mass Value Search
GalNAc 1 Neu5Ac 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
CZOGCRVBCLRHQJ-NAFGUXDZSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
9
H
3
2
N
2
O
1
4
/
c
1
-
6
(
2
3
)
2
0
-
1
1
-
8
(
2
5
)
3
-
1
9
(
1
8
(
3
1
)
3
2
,
3
5
-
1
6
(
1
1
)
1
3
(
2
7
)
9
(
2
6
)
4
-
2
2
)
3
3
-
5
-
1
0
-
1
4
(
2
8
)
1
5
(
2
9
)
1
2
(
1
7
(
3
0
)
3
4
-
1
0
)
2
1
-
7
(
2
)
2
4
/
h
8
-
1
7
,
2
2
,
2
5
-
3
0
H
,
3
-
5
H
2
,
1
-
2
H
3
,
(
H
,
2
0
,
2
3
)
(
H
,
2
1
,
2
4
)
(
H
,
3
1
,
3
2
)
/
t
8
-
,
9
+
,
1
0
+
,
1
1
+
,
1
2
+
,
1
3
+
,
1
4
-
,
1
5
+
,
1
6
+
,
1
7
-
,
1
9
-
/
m
0
/
s
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SMILES
CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
512.1853
512.4681
Permethylated
Oligosaccharides
652.3418
652.7368
Peracetylated
Oligosaccharides
806.2592
806.7291
Glycan Motifs
Motif ID
Structure / SubStructure Name
Note
JCGG-MOTIF4020
Tn Antigen
Reducing Terminal
External Links
GlycomeDB
(Structure)
GlycomeDB
32696
32696
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
Glycan Motifs
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