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HDO : Summary
Code ![](/pdbe/static/images/help.png)
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HDO
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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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1-hydroxydodecan-4-one
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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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C12 H24 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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200.318 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 |
C(CCC(CCCCCCCC)=O)O |
SMILES
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CACTVS |
3.385 |
CCCCCCCCC(=O)CCCO |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCC(=O)CCCO |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCCCC(=O)CCCO |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CCCCCCCCC(=O)CCCO |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h13H,2-11H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZWRNUBJKJQOMRO-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (14 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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2017-09-05
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Last modified at ![](/pdbe/static/images/help.png)
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2018-08-03
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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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