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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-STR030780
GlyTouCan
G89090WX
version 2
Glycan Information
Glyco Tree
get Image
Composition
Hex 2 HexNAc 1
Mass Value Search
Gal 1 GalNAc 1 Glc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
XGWWPIOYXPTSBV-KQYPMAIESA-N
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InChI
I
n
C
h
I
=
1
S
/
C
2
0
H
3
5
N
O
1
6
/
c
1
-
5
(
2
5
)
2
1
-
9
-
1
1
(
2
7
)
1
0
(
2
6
)
6
(
2
-
2
2
)
3
4
-
1
9
(
9
)
3
6
-
1
7
-
8
(
4
-
2
4
)
3
5
-
2
0
(
1
5
(
3
1
)
1
3
(
1
7
)
2
9
)
3
7
-
1
6
-
7
(
3
-
2
3
)
3
3
-
1
8
(
3
2
)
1
4
(
3
0
)
1
2
(
1
6
)
2
8
/
h
6
-
2
0
,
2
2
-
2
4
,
2
6
-
3
2
H
,
2
-
4
H
2
,
1
H
3
,
(
H
,
2
1
,
2
5
)
/
t
6
-
,
7
-
,
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
Copy
SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@@H]1CO
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
545.1955
545.495
Permethylated
Oligosaccharides
699.3678
699.7906
Peracetylated
Oligosaccharides
965.3012
965.8677
External Links
GlycomeDB
(Structure)
GlycomeDB
9468
9468
KEGG
(Structure)
KEGG
G03224
G03224
CarbBank
CCSD
:
11088
Title
: Glycolipid receptors for uropathogenic Escherichia coli on human erythrocytes and uroepithelial cells
Authors
: Leffler H; Svanborg-Eden C
Info
: Infect Immun (1981) 34: 920-929
TAXID
: 562
Other Data
: 2010-12-17
CCSD
:
13282
Title
: In vitro effects of glycosphingolipids on human tumor cell proliferation
Authors
: Kimball PM; Hammonds L; McKibbin JM; Brattain MG; Glover G; Webb M
Info
: Proc Soc Exp Biol Med (1981) 166: 107-112
Other Data
: 2010-12-17
©2008-2009 Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)
CompositionDescriptors Computed from StructureMass
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