| General Information of MET (ID: META00684) |
| Name |
Diacetone alcohol
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| Synonyms |
Click to Show/Hide Synonyms of This Metabolite
(CH3)2C(OH)CH2C(O)CH3; 2-Hydroxy-2-methyl-4-pentanone; 2-Methyl-2-pentanol-4-one; 2-Methyl-3-pentanol-4-one; 4-Hydroxy-2-keto-4-methylpentane; 4-Hydroxy-4-methyl pentan-2-one; 4-Hydroxy-4-methyl-2-pentanone; 4-Hydroxy-4-methyl-pentan-2-ON; 4-Hydroxy-4-methylpentan-2-one; 4-Hydroxy-4-methylpentanone; 4-Hydroxy-4-methylpentanone-2; 4-Idrossi-4-metil-pentan-2-one; 4-Methyl-2-pentanon-4-ol; 4-Methyl-4-hydroxy-2-pentanone; Acetonyldimethylcarbinol; Diacetonalcohol; Diacetonalcool; Diacetonalkohol; Diacetone; Diacetone alcohol; Diacetone-alcool; Diacetonealcool; Diacetonyl alcohol; Diketone alcohol; Dimethyl acetonyl carbinol; Hydroxy-4-methyl-2-pentanone; Pyranton; Pyranton a; Pyraton; Tyranton
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| Source |
Aliphatic acyclic compounds
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| Structure Type |
Carbonyl compounds (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
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| PubChem CID |
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| HMDB ID |
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| Formula |
C6H12O2
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| Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=31256"></iframe>
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3D MOL
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2D MOL
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Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
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| ChEBI ID |
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| FooDB ID |
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| ChemSpider ID |
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| Physicochemical Properties |
Molecular Weight |
116.16 |
Topological Polar Surface Area |
37.3 |
| XlogP |
-0.2 |
Complexity |
94.7 |
| Heavy Atom Count |
8 |
Rotatable Bond Count |
2 |
| Hydrogen Bond Donor Count |
1 |
Hydrogen Bond Acceptor Count |
2 |
| Function |
Diacetone alcohol is found in fruits. Diacetone alcohol is isolated from the arctic bramble Rubus arcticu
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Regulatory Network
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Induced Change
