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
Nicotinamide adenine dinucleotide phosphate. A coenzyme composed of ribosylnicotinamide 5'-phosphate (NMN) coupled by pyrophosphate linkage to the 5'-phosphate adenosine 2',5'-bisphosphate. It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed)
이름 및 식별자
- 우선 이름
- [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
- IUPAC
- [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
- 영어명
- Triphosphopyridine nucleotide
- 분자식
- C21H28N7O17P3
- 분자량
- 743.41
이름 및 동의어
C21H28N7O17P3beta-Nicotinamide adenine dinucleotide phosphate hydrateSCHEMBL27190130MFCD10567218[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphateNADPNICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATETPNΒ-NADPβ-Nicotinamide adenine dinucleotide phosphateb-Nicotinamide adenine dinucleotide phosphateTPNH
이름 더 보기
COENZYME IInadide phosphatenicotinamide adenine dinucleotide-P
데이터베이스 식별자
- CAS
53-59-8- PubChem CID
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
Physical DescriptionSolid
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.
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)
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
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…