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DKA : Summary
Code 
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DKA
|
One-letter code 
|
X
|
Molecule name 
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DECANOIC ACID
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Systematic names 
|
|
Formula 
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C10 H20 O2
|
Formal charge 
|
0
|
Molecular weight 
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172.265 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)CCCCCCCCC |
SMILES
|
CACTVS |
3.370 |
CCCCCCCCCC(O)=O |
SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCCCCCCCCC(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
CCCCCCCCCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
CCCCCCCCCC(=O)O |
|
IUPAC InChI  | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) |
IUPAC InChI key  | GHVNFZFCNZKVNT-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
32 (12 without Hydrogen)
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Polymer type 
|
Bound ligand
|
Type description 
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NON-POLYMER
|
Type code 
|
HETAIN
|
Is modified 
|
No
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Standard parent 
|
Not Assigned
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Defined at 
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2000-07-17
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Last modified at 
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2011-06-04
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Status 
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Released
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Obsoleted 
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Not Assigned
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