홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

아데노신트라이포스페이트

5'-Atp

HCID 5957
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
56-65-5
표준 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
분자식
C10H16N5O13P3
평균 분자량
507.18 g/mol
단동위원소 질량
506.99574658

개요

ATP is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a cofactor, a micronutrient, a nutraceutical and a fundamental metabolite. It is a purine ribonucleoside 5'-triphosphate and an adenosine 5'-phosphate. It is a conjugate acid of an ATP(3-).

이름 및 식별자

우선 이름
5'-Atp
IUPAC
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
현지명
아데노신트라이포스페이트
영어명
Adenosine triphosphate
분자식
C10H16N5O13P3
분자량
507.18

이름 및 동의어

Adenosine triphosphate56-65-5TriphosphadenMyotriphosTriadenylGlucobasinAdetolAdynolAtipiAdephosAdenosine 5'-(tetrahydrogen triphosphate)Adenylpyrophosphoric acid
이름 더 보기
아데노신트라이포스페이트ADENOSINE 5'-TRIPHOSPHATEATP-H((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphateATP Sodium5’-atpATP.H2
5'-AtpAdenosine 5'-triphosphoric acidTriphosphoric acid adenosine esterDTXSID6022559adenosine 5' triphosphateadenylpyrophosphate8L70Q75FXECHEBI:15422

데이터베이스 식별자

CAS
56-65-5
PubChem CID
5957
DTXSID
DTXSID6022559
ChEMBL
CHEMBL14249

물성

구조 계산 물성

XLogP
-5.7
극성 표면적
279 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
17
회전 가능 결합 수
8
무거운 원자 수
31
형식 전하
0
복잡도
800

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics · 2건

Cosmetic ingredients (Adenosine Triphosphate) -> CIR (Cosmetic Ingredient Review)

Skin conditioning

Solubility1000.0 mg/mL; 862 mg/mL (magnesium salt)
Physical DescriptionSolid
Collision Cross Section · 4건

198.86 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

185.74 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

196.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

188.3 Ų [M-H]-

물리화학적 성질

녹는점
144 °C · 144°C (rough estimate)
끓는 점
951.4 · 951.4±75.0 °C(Predicted)
밀도
1 g/mL · 1.0 g/mL at 20 °C
저장 조건
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도
Soluble (water), Na and K salts are easily soluble in water, Ba salts are insoluble in water

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Adenosine 5'-(tetrahydrogen triphosphate)

Adenosine triphosphate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Adenosine 5'-(tetrahydrogen triphosphate): Environment tier I assessment
Hazard Classes and CategoriesNot Classified

독성 정보

Toxicity Summary · 2건

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.org

ATP 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 ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Adenosine triphosphate (ATP) is the nucleotide known in biochemistry as the "molecular currency" of intracellular energy transfer; that is, ATP is able to store and transport chemical energy within cells. ATP also plays an important role in the synthesis of nucleic acids. 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.

Mechanism of Action · 1건

ATP 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.

Metabolism/Metabolites · 1건

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

Tissue LocationsAdipose Tissue

관련 반응

131건
반응 기록 만들기
HRID 19449 반응식
HRID 19449반응물로uspto-grants-2010_06
HRID 23844 반응식
HRID 23844반응물로uspto-grants-2005_02
HRID 67943 반응식
HRID 67943생성물로uspto-grants-1982_08
HRID 227216 반응식
HRID 227216반응물로uspto-grants-2009_07
HRID 233545 반응식
HRID 233545반응물로uspto-grants-1997_01
HRID 234735 반응식
HRID 234735반응물로uspto-grants-1997_01
HRID 246815 반응식
HRID 246815생성물로uspto-grants-1987_11
HRID 249287 반응식
HRID 249287반응물로uspto-grants-1993_05
1 / 17 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
ChEBI
CHEBI:15422
UNII
8L70Q75FXE
EC Number
200-283-2
Nikkaji
J10.680A
물리적 상태
동결건조된 분말
산도 계수 (pKa)
2 · pK2: 4.00(-1);pK3: 6.48(-2) (25°C)
색상
White to off-white
수소이온지수(pH)
7 · 7.0 ± 0.1
수용성
100 mg/mL · 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
-4.18 · -4.180 (est)
EPA
Adenosine triphosphate (56-65-5)
화학적 성질 · 1건

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

Toxicity Data
Oral LD<sub>50</sub> in rats is > 2 g/kg.

안전 데이터

wgk
3
tsca
TSCA listed
독성
dni-hmn:lym 10 mmol/L CNREA8 42,2092,82
HS 번호
2938909090
safety_code
22-24/25
기존화학 물질
KE-00232
Cellular Locations
Cytoplasm
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)

용도 및 제조

Uses · 2건

CIR ingredient: Adenosine Triphosphate

For nutritional supplementation, also for treating dietary shortage or imbalance

Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationAdenosine 5'-(tetrahydrogen triphosphate): ACTIVE
응용 분야 · 3건

개요Adenosine 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.

역사ATP 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.

용도Adenosine 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.

상·하류 제품 정보

상류 원료

ATPαS2',3'-DI-O-아세틸아데노신5'-Tosyladenosine

하류 제품

UTPguanosine 5'-(tetrahydrogen triphosphate)6-amino-9-[3-hydroxy-5-[(hydroxy-sulfooxy-phosphoryl)oxymethyl]-4-phosphonooxy-oxolan-2-yl]-purineADPNADPH5'-데옥시-S-아데노실-L-호모시스테인[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 5-[(6S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoate
추가 설명 · 1건

정의Adenosine triphosphate (ATP) is the source of energy for use and storage at the cellular level. It is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways.