아데노신트라이포스페이트
아데노신트라이포스페이트 · 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
식별자 및 물리적 특성
| CAS No. | 56-65-5 |
|---|---|
| 분자식 | C10H16N5O13P3 |
| 평균 분자량 | 507.18 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 아데노신트라이포스페이트 |
화학 및 물리적 성질
| XLogP | -5.7 |
|---|---|
| 극성 표면적 | 279 |
| 수소 결합 공여자 수 | 7 |
| 수소 결합 수용자 수 | 17 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 31 |
| 형식 전하 | 0 |
| 복잡도 | 800 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Cosmetic ingredients (Adenosine Triphosphate) -> CIR (Cosmetic Ingredient Review)Skin conditioning |
| 용해도 | 1000.0 mg/mL862 mg/mL (magnesium salt)Soluble (water), Na and K salts are easily soluble in water, Ba salts are insoluble in water |
| 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]+ |
| 녹는점 | 144°C (rough estimate) |
| 끓는 점 | 951.4±75.0 °C(Predicted) |
| 밀도 | 1.0 g/mL at 20 °C |
| 저장 조건 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 물리적 상태 | 동결건조된 분말 |
| pKa(산도 계수) | pK2: 4.00(-1)pK3: 6.48(-2) (25°C) |
| 색상 | White to off-white |
| pH | 7.0 ± 0.1 |
| 용해도 | Water : ≥ 100 mg/mL (197.17 mM) |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| 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(분배 계수) | -4.180 (est) |
| EPA | Adenosine triphosphate (56-65-5) |
화학적 성질
The structure of Adenosine triphosphate has an ordered carbon compound as a backbone, but the part that is really critical is the phosphorous part - the triphosphate. Three phosphorous groups are connected by oxygens to each other, and there are also side oxygens connected to the phosphorous atoms. Under the normal conditions in the body, each of these oxygens has a negative charge, and therefore repel each other. These bunched up negative charges want to escape - to get away from each other, so there is a lot of potential energy here.If you remove just one of these phosphate groups from the end, so that there are just two phosphate groups, the molecule is much happier. This conversion from ATP to ADP is an extremely crucial reaction for the supplying of energy for life processes. Just the cutting of one bond with the accompanying rearrangement is sufficient to liberate about 7.3 kilocalories per mole = 30.6 kJ/mol. This is about the same as the energy in a single peanut.hyperphysics.phy-astr.gsu.edu
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Chemical: Adenosine 5'-(tetrahydrogen triphosphate)Adenosine triphosphate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Adenosine 5'-(tetrahydrogen triphosphate): Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 독성 요약 | 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. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | dni-hmn:lym 10 mmol/L CNREA8 42,2092,82 |
| 안전 문구(S) | 22-24/25 |
| 기존화학 물질 | KE-00232 |
용도
개요
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.
역사
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.
용도
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.