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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-STR001896
GlyTouCan
G35466TW
version 2
Glycan Information
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Composition
Hex 2
Mass Value Search
All 1 Glc 1
Structural Isomer Search
Descriptors Computed from Structure
InChIKey
GUBGYTABKSRVRQ-ABZQDRFCSA-N
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InChI
I
n
C
h
I
=
1
S
/
C
1
2
H
2
2
O
1
1
/
c
1
3
-
1
-
3
-
5
(
1
5
)
6
(
1
6
)
9
(
1
9
)
1
2
(
2
2
-
3
)
2
3
-
1
0
-
4
(
2
-
1
4
)
2
1
-
1
1
(
2
0
)
8
(
1
8
)
7
(
1
0
)
1
7
/
h
3
-
2
0
H
,
1
-
2
H
2
/
t
3
-
,
4
-
,
5
-
,
6
+
,
7
+
,
8
-
,
9
-
,
1
0
-
,
1
1
+
,
1
2
-
/
m
1
/
s
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SMILES
OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
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Mass
Monoisotopic Mass
Average Mass
Underivatised
Oligosaccharides
342.1161
342.3
Permethylated
Oligosaccharides
454.2415
454.515
Peracetylated
Oligosaccharides
678.2007
678.5982
External Links
GlycomeDB
(Structure)
GlycomeDB
11740
11740
KEGG
(Structure)
KEGG
G09974
G09974
CarbBank
CCSD
:
49096
Title
: Molecular mechanical and molecular dynamical simulations of glycoproteins and oligosaccharides. 1. GLYCAM_93 parameter development
Authors
: Woods RJ; Dwek RA; Edge CJ; Fraser-Reid B
Info
: J Phys Chem (1995) 99: 3832-3846
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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