기본 정보
- CAS
53-59-8- 표준 SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1- InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N- 분자식
- C21H28N7O17P3
- 평균 분자량
- 743.4 g/mol
- 단동위원소 질량
- 743.07545344
개요
NADP zwitterion is a NADP. It has a role as a fundamental metabolite. It is a conjugate base of a NADP(+).
이름 및 식별자
- 우선 이름
- Nadp
- IUPAC
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
- 영어명
- Triphosphopyridine nucleotide
- 분자식
- C21H28N7O17P3
- 분자량
- 743.41
이름 및 동의어
53-59-8triphosphopyridine nucleotidecoenzyme IINADPCodehydrogenase IINAD phosphateCozymase IINadide phosphateTPN (nucleotide)Nicotinamide-adenine dinucleotide phosphateNADP+BY8P107XEP
이름 더 보기
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATETPNΒ-NADPβ-Nicotinamide adenine dinucleotide phosphateb-Nicotinamide adenine dinucleotide phosphateTPNHnicotinamide adenine dinucleotide-P
beta-nicotinamide adenine dinucleotide phosphateCHEBI:44409DTXSID50889327Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner saltbeta-NADP+[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphateCHEBI:18009(((2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphate
데이터베이스 식별자
- CAS
53-59-8- PubChem CID
- 5885
- DTXSID
DTXSID50889327- ChEMBL
CHEMBL295069- ChEBI
CHEBI:44409- UNII
- BY8P107XEP
- EC Number
- 200-178-1
- Nikkaji
- J247.824B
물성
구조 계산 물성
- XLogP
- -7.1
- 극성 표면적
- 368 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,290
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Other Biomolecules
Physical Description
Grayish-white solid; [Merck Index]
Solid
물리화학적 성질
- 저장 조건
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명, 약간 노란색
- 산도 계수 (pKa)
- 1 · pKa1 3.9; pKa2 6.1(at 25℃)
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- 수용성
- 2 O: · H2O: soluble 50mg/mL, clear, colorless to faintly yellow
- Merck
- 14 · 14,6348
- InChIKey
- XJLXINKUBYWONI-WFYQBQJJNA-N
- SMILES
- O.NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
- EPA
- 5 · Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt (53-59-8)
화학적 성질
Triphosphopyridine nucleotide is white or off-white powder, it is easy to absorb moisture and deliquescence. pKa{1}=3.9; pKa{2}=6.1. It is soluble in water, methanol, insoluble in ethanol, insoluble in ether and ethyl acetate.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummarySee NADPH.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UU3440000
- HS 번호
- 2934.99.9001
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsEndoplasmic reticulum
Metabolite Pathways11-beta-hydroxylase deficiency (CYP11B1)
용도 및 제조
UsesThe active form of nicotinic acid, which functions as a coenzyme; [Merck Index] It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed) [ChemIDplus]
General Manufacturing InformationAdenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt: ACTIVE
응용 분야
용도β-Nicotinamide adenine dinucleotide phosphate hydrate is suitable for use in:the measurement of Glucose-6-phosphate dehydrogenase activitythe Cytochrome P450 3A4 assay as a part of NADPH-regenerating systemthe Cytochrome P450 2D6 assay as a part of NADPH-regenerating systemthe determination of Glucose-6-phosphate content
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하류 제품
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추가 설명
정의The oxidized form of nicotinamide adenine dinucleotide phosphate (NADP) that receives electrons from photosystem I during photosynthesis. It exists as an anion under normal physiologic conditions.
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