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0VT : Summary
Code
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0VT
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One-letter code
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X
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Molecule name
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6-methylhept-5-en-2-one
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Synonyms
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6-methyl-5-hepten-2-one
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Systematic names
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Formula
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C8 H14 O
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Formal charge
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0
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Molecular weight
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126.196 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(C)CC\C=C(/C)C |
SMILES
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CACTVS |
3.370 |
CC(C)=CCCC(C)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=CCCC(=O)C)C |
Canonical SMILES
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CACTVS |
3.370 |
CC(C)=CCCC(C)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(=CCCC(=O)C)C |
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IUPAC InChI | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
IUPAC InChI key | UHEPJGULSIKKTP-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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2012-07-13
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Last modified at
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2021-03-01
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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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