FORMIC ACID
Relevant Data
Food Additives Approved by WHO:
Flavouring Substances Approved by European Union:
General Information
| Mainterm | FORMIC ACID |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 64-18-6 |
| Regnum |
172.723 172.515 186.1316 573.480 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 284 |
| IUPAC Name | formic acid |
| InChI | InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) |
| InChI Key | BDAGIHXWWSANSR-UHFFFAOYSA-N |
| Canonical SMILES | C(=O)O |
| Molecular Formula | HCOOH |
| Wikipedia | formic acid |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 46.025 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Complexity | 10.3 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A M A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A E g A A C A A A A A A A A A M A C A A A A g A I A A A A i A A A A A A A A A A A A A A A A A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 37.3 |
| Monoisotopic Mass | 46.005 |
| Exact Mass | 46.005 |
| XLogP3 | None |
| XLogP3-AA | -0.2 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
From Pubchem
Food Additives Biosynthesis/Degradation
ADMET Predicted Profile --- Classification
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9652 |
| Human Intestinal Absorption | HIA+ | 0.9726 |
| Caco-2 Permeability | Caco2+ | 0.6096 |
| P-glycoprotein Substrate | Non-substrate | 0.8931 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9906 |
| Non-inhibitor | 0.9913 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9444 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.6558 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8181 |
| CYP450 2D6 Substrate | Non-substrate | 0.9527 |
| CYP450 3A4 Substrate | Non-substrate | 0.8338 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.9272 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9723 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9675 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9877 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9843 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9922 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9799 |
| Non-inhibitor | 0.9886 | |
| AMES Toxicity | Non AMES toxic | 0.9551 |
| Carcinogens | Carcinogens | 0.6199 |
| Fish Toxicity | Low FHMT | 0.6509 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.9294 |
| Honey Bee Toxicity | High HBT | 0.8018 |
| Biodegradation | Ready biodegradable | 0.9383 |
| Acute Oral Toxicity | III | 0.7629 |
| Carcinogenicity (Three-class) | Non-required | 0.7164 |
From admetSAR
ADMET Predicted Profile --- Regression
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 0.8462 | LogS |
| Caco-2 Permeability | 1.3902 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 1.6531 | LD50, mol/kg |
| Fish Toxicity | 2.5869 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -1.1594 | pIGC50, ug/L |
From admetSAR
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH. |
From ClassyFire
Targets
- General Function:
- Signal transducer activity
- Specific Function:
- Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed. Exhibits cytoprotective effects since excess of free heme sensitizes cells to undergo apoptosis.
- Gene Name:
- HMOX1
- Uniprot ID:
- P09601
- Molecular Weight:
- 32818.345 Da
- General Function:
- Ribonuclease a activity
- Specific Function:
- Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
- Gene Name:
- RNASE1
- Uniprot ID:
- P07998
- Molecular Weight:
- 17644.125 Da
- General Function:
- Fmn binding
- Specific Function:
- Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
- Gene Name:
- pyrD
- Uniprot ID:
- P0A7E1
- Molecular Weight:
- 36774.185 Da
- General Function:
- (s)-2-haloacid dehalogenase activity
- Specific Function:
- Catalyzes the hydrolytic dehalogenation of small L-2-haloalkanoic acids to yield the corresponding D-2-hydroxyalkanoic acids. Active with 2-halogenated carboxylic acids and converts only the L-isomer of 2-chloropropionic acid with inversion of configuration to produce D-lactate.
- Gene Name:
- dhlB
- Uniprot ID:
- Q60099
- Molecular Weight:
- 27469.15 Da
- General Function:
- Penicillin binding
- Specific Function:
- This is an oxacillin-hydrolyzing beta-lactamase.
- Gene Name:
- bla
- Uniprot ID:
- P0A1V8
- Molecular Weight:
- 31685.78 Da
- General Function:
- Metal ion binding
- Specific Function:
- Decomposes hydrogen peroxide into water and oxygen; serves to protect cells from the toxic effects of hydrogen peroxide.
- Gene Name:
- katA
- Uniprot ID:
- P42321
- Molecular Weight:
- 55614.085 Da
- General Function:
- Gtpase activity
- Specific Function:
- Involved in targeting and insertion of nascent membrane proteins into the cytoplasmic membrane. Binds to the hydrophobic signal sequence of the ribosome-nascent chain (RNC) as it emerges from the ribosomes. The SRP-RNC complex is then targeted to the cytoplasmic membrane where it interacts with the SRP receptor FtsY.
- Gene Name:
- ffh
- Uniprot ID:
- O07347
- Molecular Weight:
- 47355.705 Da
- Specific Function:
- The biological function of streptavidin is not known. Forms a strong non-covalent specific complex with biotin (one molecule of biotin per subunit of streptavidin).
- Uniprot ID:
- P22629
- Molecular Weight:
- 18833.61 Da
- General Function:
- Methylglyoxal synthase activity
- Gene Name:
- mgsA
- Uniprot ID:
- P0A733
- Molecular Weight:
- 16918.435 Da
- General Function:
- Transcription factor binding
- Specific Function:
- Corepressor targeting diverse transcription regulators such as GLIS2 or BCL6. Has dehydrogenase activity. Involved in controlling the equilibrium between tubular and stacked structures in the Golgi complex. Functions in brown adipose tissue (BAT) differentiation.
- Gene Name:
- CTBP1
- Uniprot ID:
- Q13363
- Molecular Weight:
- 47534.865 Da
- General Function:
- 6-phosphogluconolactonase activity
- Specific Function:
- Hydrolysis of 6-phosphogluconolactone to 6-phosphogluconate.
- Gene Name:
- pgl
- Uniprot ID:
- Q9X0N8
- Molecular Weight:
- 25324.955 Da
- General Function:
- May play a role in fatty acid biosynthesis.
- Specific Function:
- Lyase activity
- Gene Name:
- citE
- Uniprot ID:
- P9WPE1
- Molecular Weight:
- 28885.39 Da
- General Function:
- Protein serine/threonine kinase activity
- Specific Function:
- Multidomain scaffolding protein with a role in synaptic transmembrane protein anchoring and ion channel trafficking. Contributes to neural development and regulation of gene expression via interaction with the transcription factor TBR1. Binds to cell-surface proteins, including amyloid precursor protein, neurexins and syndecans. May mediate a link between the extracellular matrix and the actin cytoskeleton via its interaction with syndecan and with the actin/spectrin-binding protein 4.1.
- Gene Name:
- CASK
- Uniprot ID:
- O14936
- Molecular Weight:
- 105121.915 Da
- General Function:
- Essential for recycling GMP and indirectly, cGMP.
- Specific Function:
- Adenylate kinase activity
- Gene Name:
- gmk
- Uniprot ID:
- P9WKE9
- Molecular Weight:
- 22095.065 Da
- General Function:
- Butyrate kinase activity
- Gene Name:
- buk2
- Uniprot ID:
- Q9X278
- Molecular Weight:
- 42022.04 Da
- General Function:
- Gamma-glutamylcyclotransferase activity
- Specific Function:
- Contributes to degradation of proteins cross-linked by transglutaminases. Degrades the cross-link between a lysine and a glutamic acid residue from two proteins that have been cross-linked by transglutaminases. Catalyzes the formation of 5-oxoproline from L-gamma-glutamyl-L-epsilon-lysine. Inactive with L-gamma-glutamyl-alpha-amino acid substrates such as L-gamma-glutamyl-L-alpha-cysteine and L-gamma-glutamyl-L-alpha-alanine.
- Gene Name:
- GGACT
- Uniprot ID:
- Q9BVM4
- Molecular Weight:
- 17328.44 Da
- General Function:
- Calcium ion binding
- Specific Function:
- In muscle, parvalbumin is thought to be involved in relaxation after contraction. It binds two calcium ions.
- Gene Name:
- PVALB
- Uniprot ID:
- P20472
- Molecular Weight:
- 12058.635 Da
- General Function:
- Acylphosphatase activity
- Specific Function:
- Its physiological role is not yet clear.
- Gene Name:
- ACYP2
- Uniprot ID:
- P14621
- Molecular Weight:
- 11139.52 Da
- Uniprot ID:
- Q81C15
- Molecular Weight:
- 12777.45 Da
- General Function:
- Arginine n-succinyltransferase activity
- Specific Function:
- Catalyzes the transfer of succinyl-CoA to arginine to produce N(2)-succinylarginine. Also acts on L-ornithine.
- Gene Name:
- astA
- Uniprot ID:
- P80357
- Molecular Weight:
- 36930.335 Da
- General Function:
- Zinc ion binding
- Gene Name:
- yvyI
- Uniprot ID:
- P39841
- Molecular Weight:
- 35427.725 Da
- General Function:
- Tetrahydrobiopterin binding
- Specific Function:
- Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR.
- Gene Name:
- NOS1
- Uniprot ID:
- P29475
- Molecular Weight:
- 160969.095 Da
- General Function:
- Metal ion binding
- Uniprot ID:
- Q9X0V0
- Molecular Weight:
- 64077.82 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Hydrolyzes p-nitrophenyl phosphate (pNPP) in vitro. Involved in the swarming motility process.
- Gene Name:
- ycdX
- Uniprot ID:
- P75914
- Molecular Weight:
- 26890.25 Da
- General Function:
- Isochorismatase activity
- Gene Name:
- phzD1
- Uniprot ID:
- Q7DC80
- Molecular Weight:
- 23195.32 Da
- General Function:
- Oxalate decarboxylase activity
- Specific Function:
- Converts oxalate to formate and CO(2) in an O(2)-dependent reaction. Can also catalyze minor side reactions: oxalate oxidation to produce H(2)O(2), and oxalate-dependent, H(2)O(2)-independent dye oxidations.
- Gene Name:
- oxdC
- Uniprot ID:
- O34714
- Molecular Weight:
- 43565.77 Da
- General Function:
- Oxidoreductase activity
- Gene Name:
- actIII
- Uniprot ID:
- P16544
- Molecular Weight:
- 27264.88 Da
- General Function:
- Molybdopterin molybdotransferase activity
- Specific Function:
- Microtubule-associated protein involved in membrane protein-cytoskeleton interactions. It is thought to anchor the inhibitory glycine receptor (GLYR) to subsynaptic microtubules (By similarity). Catalyzes two steps in the biosynthesis of the molybdenum cofactor. In the first step, molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released.
- Gene Name:
- GPHN
- Uniprot ID:
- Q9NQX3
- Molecular Weight:
- 79747.635 Da
- Uniprot ID:
- Q81F54
- Molecular Weight:
- 16581.885 Da
- General Function:
- Lipid binding
- Specific Function:
- Acts as a guanine-nucleotide exchange factor (GEF). Promotes guanine-nucleotide exchange on ARF1, ARF3 and ARF6. Promotes the activation of ARF factors through replacement of GDP with GTP. The cell membrane form, in association with ARL4 proteins, recruits ARF6 to the plasma membrane. Involved in neurite growth (By similarity).
- Gene Name:
- CYTH2
- Uniprot ID:
- Q99418
- Molecular Weight:
- 46545.725 Da
- General Function:
- Ligase activity
- Specific Function:
- Decarboxylase subunit of the primary sodium pump glutaconyl-CoA decarboxylase (GCD).
- Gene Name:
- gcdA
- Uniprot ID:
- Q06700
- Molecular Weight:
- 64346.32 Da
- General Function:
- Dna binding
- Uniprot ID:
- Q9WXS0
- Molecular Weight:
- 28118.475 Da
- General Function:
- Metal ion binding
- Specific Function:
- Decomposes hydrogen peroxide into water and oxygen; serves to protect cells from the toxic effects of hydrogen peroxide.
- Gene Name:
- katA
- Uniprot ID:
- P77872
- Molecular Weight:
- 58628.85 Da
- Uniprot ID:
- Q9X0F9
- Molecular Weight:
- 13061.115 Da
- General Function:
- Glutathione transferase activity
- Specific Function:
- Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. May also function as a storage protein or ligandin for parasitotoxic ferriprotoporphyrin IX (hemin).
- Gene Name:
- GST
- Uniprot ID:
- Q8MU52
- Molecular Weight:
- 24788.9 Da
- General Function:
- Hypoxanthine phosphoribosyltransferase activity
- Gene Name:
- HGPRTase
- Uniprot ID:
- Q27796
- Molecular Weight:
- 25529.02 Da
- General Function:
- Glutaminase activity
- Gene Name:
- glsA1
- Uniprot ID:
- O31465
- Molecular Weight:
- 36186.3 Da
- General Function:
- Glutaminase activity
- Gene Name:
- glsA1
- Uniprot ID:
- P77454
- Molecular Weight:
- 32903.075 Da
- General Function:
- Molybdopterin synthase activity
- Specific Function:
- Converts molybdopterin precursor Z to molybdopterin. This requires the incorporation of two sulfur atoms into precursor Z to generate a dithiolene group. The sulfur is provided by MoaD.
- Gene Name:
- moaE
- Uniprot ID:
- P30749
- Molecular Weight:
- 16980.955 Da
- General Function:
- Transaminase activity
- Uniprot ID:
- Q9X0L5
- Molecular Weight:
- 47135.19 Da
- General Function:
- Metal ion binding
- Gene Name:
- fbpA
- Uniprot ID:
- Q9Z4N6
- Molecular Weight:
- 38023.085 Da
- General Function:
- Dna topoisomerase type ii (atp-hydrolyzing) activity
- Gene Name:
- gyrB
- Uniprot ID:
- Q5SHZ4
- Molecular Weight:
- 70536.815 Da
- General Function:
- Hydroxypyruvate isomerase activity
- Specific Function:
- Catalyzes the reversible isomerization between hydroxypyruvate and 2-hydroxy-3-oxopropanoate (also termed tartronate semialdehyde).
- Gene Name:
- ygbM
- Uniprot ID:
- Q46891
- Molecular Weight:
- 29216.725 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Catalyzes an early step in the biosynthesis of tetrapyrroles. Binds two molecules of 5-aminolevulinate per subunit, each at a distinct site, and catalyzes their condensation to form porphobilinogen (By similarity).
- Gene Name:
- hemB
- Uniprot ID:
- Q59643
- Molecular Weight:
- 37036.6 Da
- General Function:
- 3-phosphoshikimate 1-carboxyvinyltransferase activity
- Specific Function:
- Catalyzes the transfer of the enolpyruvyl moiety of phosphoenolpyruvate (PEP) to the 5-hydroxyl of shikimate-3-phosphate (S3P) to produce enolpyruvyl shikimate-3-phosphate and inorganic phosphate.
- Gene Name:
- aroA
- Uniprot ID:
- P0A6D3
- Molecular Weight:
- 46095.29 Da
- General Function:
- Serine-type endopeptidase activity
- Specific Function:
- Subtilisin is an extracellular alkaline serine protease, it catalyzes the hydrolysis of proteins and peptide amides.
- Gene Name:
- apr
- Uniprot ID:
- P00780
- Molecular Weight:
- 38907.64 Da
- General Function:
- S100 protein binding
- Specific Function:
- Plays an important role in the regulation of cell survival, cell division, angiogenesis, cell differentiation and cell migration. Functions as potent mitogen in vitro.
- Gene Name:
- FGF1
- Uniprot ID:
- P05230
- Molecular Weight:
- 17459.58 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Removes the formyl group from the N-terminal Met of newly synthesized proteins. Requires at least a dipeptide for an efficient rate of reaction. N-terminal L-methionine is a prerequisite for activity but the enzyme has broad specificity at other positions.
- Gene Name:
- def
- Uniprot ID:
- P0A6K3
- Molecular Weight:
- 19328.23 Da
- General Function:
- Oxo-acid-lyase activity
- Specific Function:
- Part of a heterodimeric complex that catalyzes the two-step biosynthesis of 4-amino-4-deoxychorismate (ADC), a precursor of p-aminobenzoate (PABA) and tetrahydrofolate. In the first step, a glutamine amidotransferase (PabA) generates ammonia as a substrate that, along with chorismate, is used in the second step, catalyzed by aminodeoxychorismate synthase (PabB) to produce ADC. PabB, in the absence of PabA, can catalyze the formation of ADC in the presence of exogenous ammonia.
- Gene Name:
- pabB
- Uniprot ID:
- P05041
- Molecular Weight:
- 50969.07 Da
- General Function:
- Zinc ion binding
- Specific Function:
- Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye. Contributes to intracellular pH regulation in the duodenal upper villous epithelium during proton-coupled peptide absorption. Stimulates the chloride-bicarbonate exchange activity of SLC26A6.
- Gene Name:
- CA2
- Uniprot ID:
- P00918
- Molecular Weight:
- 29245.895 Da
From T3DB