4092622
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8
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6
1
1
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1
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1
1
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1
1
1
1
1
1
1
1
2
2
-1
3
-1
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1
14
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19
26
3
1
15
10
13
18
27
3
1
1
5
255
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6.001
6.001
5.135
9.4651
2.5369
8.5991
4.269
7.7331
6.001
2.5369
6.8671
7.7331
4.269
7.7331
3.403
6.8671
4.269
3.403
8.5991
6.8671
5.135
4.481
4.8796
7.9451
8.3437
7.7331
3.403
6.655
6.2565
4.0569
3.6584
6.3301
6.8671
2
2.5369
2.5369
10.0021
0.06
1.06
-0.44
4.06
-4.94
5.56
-4.94
1.06
-1.94
-2.94
4.56
3.06
-2.94
4.06
-3.44
2.56
-1.94
-4.44
4.56
1.56
-1.44
-3.5226
-2.8323
2.4774
3.1677
4.91
-2.59
3.1426
2.4523
-1.3574
-2.0477
4.25
5.18
-3.25
-2.32
-5.56
4.37
3
3
14
15
26
27
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
329
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
10
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
10
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E0733C00000020000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200080000900800000000000000000081800000020012008000004000041000000000AC26000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
magnesium;4-amino-5-hydroxy-5-oxo-pentanoate
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
magnesium;4-amino-5-hydroxy-5-oxopentanoate
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
magnesium;4-amino-5-hydroxy-5-oxopentanoate
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
magnesium;4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
magnesium;4-amino-5-hydroxy-5-keto-valerate
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/2C5H9NO4.Mg/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);/q;;+2/p-2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MYUGVHJLXONYNC-UHFFFAOYSA-L
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
316.075707
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C10H16MgN2O8
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
316.54764
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C(CC(=O)[O-])C(C(=O)O)N.C(CC(=O)[O-])C(C(=O)O)N.[Mg+2]
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C(CC(=O)[O-])C(C(=O)O)N.C(CC(=O)[O-])C(C(=O)O)N.[Mg+2]
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
207
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
316.075707
21
2
0
2
0
0
0
0
3
1