Acetylformic acid Details
:
IUPAC Name
Pyruvicacid
:Chemical Class
:CAS Registry Number
127-17-3
:Description
:Fragrance Type
sour vinegar
Physical and Chemical properties
| PUBCHEM ID | 1060 |
| Molecular Weight (g/mol) | 88.065 |
| Molecular Formula | C3H4O3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| IUPAC Name | Pyruvicacid |
| Canonical SMILES | CC(=O)C(=O)O |
| PUBCHEM IUPAC INCHIKEY | LCTONWCANYUPML-UHFFFAOYSA-N |
| Solubility Level | 5 |
| Vapour Pressure | -0.367 |
Absorption and Metabolism information
| XLOGP3 AA | NA |
| CACTVS TPSA | 43.09 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | -0.329 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Multi-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 1.07703 |
| Ocular Irritancy | Severe |
| Hepatotoxic#Prediction | 1 |
| Effected Human Genes | NA |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 127-17-3 | ACACA | Homo sapiens | [Pyruvic Acid co-treated with Glucose] results in increased phosphorylation of ACACA protein | affects^cotreatment|increases^phosphorylation | 19071085 |
| 2 | 127-17-3 | ADRB3 | Mus musculus | [BRL 37344 binds to and results in increased activity of ADRB3 protein] which results in increased abundance of Pyruvic Acid | affects^binding|increases^abundance|increases^activity | 20930473 |
| 3 | 127-17-3 | ATP5A1 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] results in increased expression of ATP5A1 protein | affects^cotreatment|increases^expression | 25997894 |
| 4 | 127-17-3 | BECN1 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] inhibits the reaction [Doxorubicin results in decreased expression of BECN1 protein] | affects^cotreatment|decreases^expression|decreases^reaction | 25997894 |
| 5 | 127-17-3 | CASP3 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] inhibits the reaction [Doxorubicin results in increased activity of CASP3 protein] | affects^cotreatment|decreases^reaction|increases^activity | 25997894 |
| 6 | 127-17-3 | CASP9 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] inhibits the reaction [Doxorubicin results in increased activity of CASP9 protein] | affects^cotreatment|decreases^reaction|increases^activity | 25997894 |
| 7 | 127-17-3 | COX1 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] results in increased expression of COX1 protein | affects^cotreatment|increases^expression | 25997894 |
| 8 | 127-17-3 | CTBP1 | Homo sapiens | Pyruvic Acid inhibits the reaction [CTBP1 protein binds to CTBP2 protein] | affects^binding|decreases^reaction | 18184656 |
| 9 | 127-17-3 | CTBP1 | Homo sapiens | Pyruvic Acid inhibits the reaction [CTBP1 protein binds to NR5A1 protein] | affects^binding|decreases^reaction | 18184656 |
| 10 | 127-17-3 | CTBP1 | Homo sapiens | Pyruvic Acid promotes the reaction [CTBP1 protein binds to CYP17A1 promoter] | affects^binding|increases^reaction | 18184656 |
| 11 | 127-17-3 | CTBP2 | Homo sapiens | Pyruvic Acid promotes the reaction [CTBP2 protein binds to CYP17A1 promoter] | affects^binding|increases^reaction | 18184656 |
| 12 | 127-17-3 | CYP17A1 | Homo sapiens | Pyruvic Acid promotes the reaction [NR5A1 protein binds to CYP17A1 promoter] | affects^binding|increases^reaction | 18184656 |
| 13 | 127-17-3 | CYP17A1 | Homo sapiens | Pyruvic Acid results in increased expression of CYP17A1 mRNA | increases^expression | 18184656 |
| 14 | 127-17-3 | CYP3A11 | Mus musculus | Pyruvic Acid inhibits the reaction [PPARGC1A protein promotes the reaction [Pregnenolone Carbonitrile results in increased expression of CYP3A11 mRNA]] | decreases^reaction|increases^expression|increases^reaction | 21933665 |
| 15 | 127-17-3 | CYP3A11 | Mus musculus | SIRT1 mRNA affects the reaction [Pyruvic Acid inhibits the reaction [PPARGC1A protein promotes the reaction [Pregnenolone Carbonitrile results in increased expression of CYP3A11 mRNA]]] | affects^reaction|decreases^reaction|increases^expression|increases^reaction | 21933665 |
| 16 | 127-17-3 | IL4 | Rattus norvegicus | Pyruvic Acid inhibits the reaction [Mercuric Chloride results in increased expression of IL4 mRNA] | decreases^reaction|increases^expression | 11222498 |
| 17 | 127-17-3 | KCNH2 | Homo sapiens | Pyruvic Acid inhibits the reaction [[Deoxyglucose co-treated with Glucose deficiency] results in decreased activity of KCNH2 protein] | affects^cotreatment|decreases^activity|decreases^reaction | 12531891 |
| 18 | 127-17-3 | ME1 | Columbidae | [Pyruvic Acid co-treated with manganese chloride] promotes the reaction [NADP binds to ME1 protein] | affects^binding|affects^cotreatment|increases^reaction | 7356971 |
| 19 | 127-17-3 | NDUFB8 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] results in increased expression of NDUFB8 protein | affects^cotreatment|increases^expression | 25997894 |
| 20 | 127-17-3 | PDK4 | Mus musculus | [PDK4 affects the abundance of Pyruvic Acid] which results in increased expression of SIRT1 | affects^abundance|increases^expression | 21182459 |
| 21 | 127-17-3 | PPARGC1A | Homo sapiens | [Pyruvic Acid co-treated with Glucose] results in decreased acetylation of PPARGC1A protein | affects^cotreatment|decreases^acetylation | 19071085 |
| 22 | 127-17-3 | PRNP | Ovis aries | Pyruvic Acid inhibits the reaction [Peroxynitrous Acid results in decreased activity of PRNP protein] | decreases^activity|decreases^reaction | 14713301 |
| 23 | 127-17-3 | SIRT1 | Homo sapiens | [Glucose deficiency co-treated with Galactose co-treated with Amino Acids co-treated with Pyruvic Acid] inhibits the reaction [resveratrol results in increased expression of SIRT1 protein] | affects^cotreatment|decreases^reaction|increases^expression | 27358235 |
| 24 | 127-17-3 | SIRT1 | Homo sapiens | [Pyruvic Acid co-treated with Glucose] results in increased expression of and results in increased activity of SIRT1 protein | affects^cotreatment|increases^activity|increases^expression | 19071085 |
| 25 | 127-17-3 | SIRT1 | Mus musculus | Pyruvic Acid results in increased expression of SIRT1 mRNA | increases^expression | 21933665 |
| 26 | 127-17-3 | SLC2A4 | Mus musculus | Pyruvic Acid inhibits the reaction [Palmitates results in decreased expression of SLC2A4 mRNA] | decreases^expression|decreases^reaction | 21802492 |
| 27 | 127-17-3 | SOD1 | Homo sapiens | Pyruvic Acid inhibits the reaction [SOD1 protein mutant form results in increased susceptibility to cupric chloride] | decreases^reaction|increases^response to substance | 15812313 |
| 28 | 127-17-3 | TFAM | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] results in increased expression of TFAM protein | affects^cotreatment|increases^expression | 25997894 |
| 29 | 127-17-3 | TP53 | Rattus norvegicus | [Glucose deficiency co-treated with Galactose co-treated with Pyruvic Acid] inhibits the reaction [Doxorubicin results in increased expression of TP53 protein] | affects^cotreatment|decreases^reaction|increases^expression | 25997894 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 127-17-3 | Acetylformic acid |
Compound Image
2D Structure
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