디히드로니코틴아미드-아데닌디뉴클레오티드
Nadh
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
58-68-4- 표준 SMILES
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1- InChIKey
BOPGDPNILDQYTO-NNYOXOHSSA-N- 분자식
- C21H29N7O14P2
- 평균 분자량
- 665.4 g/mol
- 단동위원소 질량
- 665.12477262
이름 및 식별자
- 우선 이름
- Nadh
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 현지명
- 디히드로니코틴아미드-아데닌디뉴클레오티드
- 영어명
- dihydrodiphosphopyridine nucleotide
- 분자식
- C21H29N7O14P2
- 분자량
- 665.44
이름 및 동의어
NADHDPNHbeta-NADH58-68-41,4-Dihydronicotinamide adenine dinucleotideNADH2dihydronicotinamide adenine dinucleotideReduced nicotinamide adenine diphosphateReduced nicotinamide-adenine dinucleotideReduced Nicotinamide Adenine Dinucleotide[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate4J24DQ0916
이름 더 보기
디히드로니코틴아미드-아데닌디뉴클레오티드NICOTINAMIDE ADENINE DINUCLEOTIDEdihydrocozymaseReduced formβ-NADH, DPNH, NADHReduced codehydrase ITestosterone 17β-dehydrogenase
Nicotinamide-adenine dinucleotide, reducednicotinamide adenine dinucleotide (reduced)CHEBI:16908DTXSID30889320[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidAdenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamideNAD reduced(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)((((2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy))phosphinic acid
물성
구조 계산 물성보충 중
- XLogP
- -5.7
- 극성 표면적
- 318 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,230
실험 및 물리화학적 성질
LogP-5.1
Melting Point
140.0-142.0 °C
140.0 - 142.0 °C
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 1081.8 · 1081.8±75.0 °C(Predicted)
- 밀도
- 2.18 · 2.18±0.1 g/cm3(Predicted)
- 용해도
- 물(약간 용해됨)
- 산도 계수 (pKa)
- 1.13 · 1.13±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 감광성, 온도 민감성
- InChIKey
- BOPGDPNILDQYTO-NNYOXOHSSA-N
- EPA
- 5 · Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide (58-68-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Adenosine 5â²-(trihydrogen diphosphate), Pâ².fwdarw.5â²-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide
Adenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
규제 정보
Regulatory Information
Chemical: Adenosine 5â²-(trihydrogen diphosphate), Pâ².fwdarw.5â²-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide
Adenosine 5'-(trihydrogen diphosphate), P'â5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide, disodium salt: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-25880
화학 및 산업
약리 정보
Pharmacodynamics
A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). The action of supplemental NADH is unclear. Oral NADH supplementation has been used to combat simple fatigue as well as such mysterious and energy-sapping disorders as chronic fatigue syndrome and fibromyalgia. Researchers are also studying the value of NADH supplements for improving mental function in people with Alzheimer's disease, and minimizing physical disability and relieving depression in people with Parkinson's disease. Some healthy individuals also take NADH supplements orally to improve concentration and memory capacity, as well as to increase athletic endurance. However, to date there have been no published studies to indicate that using NADH is in any way effective or safe for these purposes.
Mechanism of Action
NADH is synthesized by the body and thus is not an essential nutrient. It does require the essential nutrient nicotinamide for its synthesis, and its role in energy production is certainly an essential one. In addition to its role in the mitochondrial electron transport chain, NADH is produced in the cytosol. The mitochondrial membrane is impermeable to NADH, and this permeability barrier effectively separates the cytoplasmic from the mitochondrial NADH pools. However, cytoplasmic NADH can be used for biologic energy production. This occurs when the malate-aspartate shuttle introduces reducing equivalents from NADH in the cytosol to the electron transport chain of the mitochondria. This shuttle mainly occurs in the liver and heart.
Absorption, Distribution and ExcretionUnclear how much of an administered dose is absorbed.
Tissue LocationsBladder；Brain；Fibroblasts；Platelet；Skeletal Muscle
Cellular LocationsEndoplasmic reticulum；Mitochondria；Peroxisome
Metabolite Pathways
11-beta-hydroxylase deficiency (CYP11B1)；17-alpha-hydroxylase deficiency (CYP17)；17-Beta Hydroxysteroid Dehydrogenase III Deficiency；2-aminoadipic 2-oxoadipic aciduria；2-Hydroxyglutric Aciduria (D And L Form)；2-ketoglutarate dehydrogenase complex deficiency；2-Methyl-3-Hydroxybutryl CoA Dehydrogenase Deficiency；21-hydroxylase deficiency (CYP21)；27-Hydroxylase Deficiency；3-Beta-Hydroxysteroid Dehydrogenase Deficiency；Total 46220 pathways, visit the HMDB page for details
관련 반응
141건
화합물 노트
불러오는 중…