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F15 : Summary
Code
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F15
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One-letter code
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X
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Molecule name
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PENTADECANOIC ACID
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Systematic names
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Formula
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C15 H30 O2
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Formal charge
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0
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Molecular weight
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242.397 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)CCCCCCCCCCCCCC |
SMILES
|
CACTVS |
3.341 |
CCCCCCCCCCCCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
CCCCCCCCCCCCCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCCCCCCCCCCCCC(=O)O |
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IUPAC InChI | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) |
IUPAC InChI key | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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47 (17 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-11-16
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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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