Adenosin-5'-triphosphat
ADENOSINE 5'-TRIPHOSPHATE · ATP-H · ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate · ATP Sodium · atipi · 5’-atp · adetol · adynol
Identifikatoren & physikalische Daten
| CAS No. | 56-65-5 |
|---|---|
| Summenformel | C10H16N5O13P3 |
| Durchschnittliche Molmasse | 507,18 g/mol |
| Monoisotopische Masse | 506,99574546 g/mol |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
| PubChem CID | 5957 |
| ChEMBL | CHEMBL14249 |
| ChEBI | CHEBI:15422 |
| EC No. | 200-283-2 |
| DTXSID | DTXSID6022559 |
| Lokaler Name | Adenosin-5'-triphosphat |
Chemische & physikalische Eigenschaften
| XLogP | -5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 279 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 17 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 800 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Kosmetika | Cosmetic ingredients (Adenosine Triphosphate) -> CIR (Cosmetic Ingredient Review)Skin conditioning |
| Löslichkeit | 1000.0 mg/mL862 mg/mL (magnesium salt)Soluble (water), Na and K salts are easily soluble in water, Ba salts are insoluble in waterWater : ≥ 100 mg/mL (197.17 mM) |
| Physical Description | Solid |
| Collision Cross Section | 198.86 Ų [M-H]- [CCS Type: DTMethod: stepped-field]185.74 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]196.6 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]204.2 Ų [M+Na]+ |
| Schmelzpunkt | 144°C (rough estimate) |
| Siedepunkt | 951.4±75.0 °C(Predicted) |
| Dichte | 1.0 g/mL at 20 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | lyophilized powder |
| pKa (Säurekonstante) | pK2: 4.00(-1)pK3: 6.48(-2) (25°C) |
| Farbe | White to off-white |
| pH | 7.0 ± 0.1 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
| SMILES | C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H](O)[C@@H]1O |
| LogP (Verteilungskoeffizient) | -4.180 (est) |
| CAS Datenbank | 56-65-5(CAS DataBase Reference) |
| EPA chemische Informationen | Adenosine triphosphate (56-65-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Not ClassifiedAggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Adenosine 5'-(tetrahydrogen triphosphate)Adenosine triphosphate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Adenosine 5'-(tetrahydrogen triphosphate): Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.orgATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. ATP can be produced by various cellular processes, most typically in mitochondria by oxidative phosphorylation under the catalytic influence of ATP synthase. The total quantity of ATP in the human body is about 0.1 mole. The energy used by human cells requires the hydrolysis of 200 to 300 moles of ATP daily. This means that each ATP molecule is recycled 2000 to 3000 times during a single day. ATP cannot be stored, hence its consumption must closely follow its synthesis. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Toxicity Data | Oral LD<sub>50</sub> in rats is > 2 g/kg. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | dni-hmn:lym 10 mmol/L CNREA8 42,2092,82 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Beschreibung
Adenosine triphosphate, also known as ATP, is a molecule that carries energy within cells. It is one of the most important biological compounds because of its role in supplying energy for life. ATP is the universal energy carrier used by all organisms to supply energy for biological functions. It is often referred to as the energy currency of cells.ATP also functions as a neurotransmitter that is stored and secreted with other neurotransmitters from the pancreas. ATP is a nucleotide consisting of the nucleoside adenosine with three attached phosphate groups (see Adenine). Like other nucleotides, ATP consists of three parts: a sugar, an amine base, and a phosphate group. The central part of the molecule in ATP is the sugar ribose. The amine base adenine is attached to the ribose, forming adenosine. Opposite the adenine on the ribose is attached a chain of three phosphate groups.
History
ATP was first isolated by the German chemist Karl Lohmann (1898–1978) from muscle tissue extracts in 1929. Alexander Todd’s (1907–1997) research helped to clarify ATP’s structure, and it was first synthesized by Todd in 1948.
Verwenden
Adenosine triphosphate (ATP) plays a critical role in the transport of macromolecules such as proteins and lipids into and out of the cell. The hydrolysis of ATP provides the required energy for active transport mechanisms to carry such molecules across a concentration gradient.