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