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SHV : Summary
Code
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SHV
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One-letter code
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X
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Molecule name
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HEPTANOIC ACID
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Systematic names
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Formula
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C7 H14 O2
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Formal charge
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0
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Molecular weight
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130.185 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(O)CCCCCC |
SMILES
|
CACTVS |
3.385 |
CCCCCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CCCCCCC(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCCC(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
CCCCCCC(=O)O |
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IUPAC InChI | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
IUPAC InChI key | MNWFXJYAOYHMED-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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23 (9 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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2004-04-19
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Last modified at
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2024-09-27
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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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